4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid

C277H577F6N41O90S — CID 162075970

IUPAC4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid
SMILESC=CCC(NC(C)C)C(=O)O.CC(=O)NCCNC(C)C.CC(C)CC(CC(C)C)C(=O)O.CC(C)N(C)C(CO)(CO)CO.CC(C)N(C)CC(=O)O.CC(C)NC(C(=O)O)C(C)(C)C.CC(C)NC(C(=O)O)C(C)(C)O.CC(C)NC(C(=O)O)C(C)C.CC(C)NC(C(=O)O)C(C)O.CC(C)NC(C(=O)O)C(F)(F)F.CC(C)NC(C)(C)CC(=O)O.CC(C)NC(C)C(=O)O.CC(C)NC(C)CC(=O)O.CC(C)NC(CC#N)C(=O)O.CC(C)NC(CC(=O)O)C(=O)O.CC(C)NC(CC(F)(F)F)C(=O)O.CC(C)NC(CC(N)=O)C(=O)O.CC(C)NC(CCC(=O)O)C(=O)O.CC(C)NC(CCC(N)=O)C(=O)O.CC(C)NC(CCO)C(=O)O.CC(C)NC(CO)(CO)CO.CC(C)NC(CO)C(=O)O.CC(C)NC(CO)C(=O)O.CC(C)NC(CO)CC(=O)O.CC(C)NC(CO)CC(=O)O.CC(C)NCC(=O)O.CC(C)NCC(C)C(=O)O.CC(C)NCC(O)CC(=O)O.CC(C)NCCC(=O)O.CC(C)NCCC(=O)O.CCC(C)C(NC(C)C)C(=O)O.CCC(NC(C)C)C(=O)O.CCCC(NC(C)C)C(=O)O.CCCCCCC(C(=O)O)N(C)C(C)C.COC(=O)C(C)(C)NC(C)C.COC(=O)C(CCCCNC(C)C)NC(C)=O.CSCCC(NC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3.C12H25NO2.C10H20O2.2C9H19NO2.C8H16N2O3.C8H15NO4.C8H19NO3.C8H17NO3.C8H17NO2S.4C8H17NO2.C8H15NO2.C7H12F3NO2.C7H14N2O3.C7H12N2O2.C7H16N2O.C7H13NO4.C7H17NO3.5C7H15NO3.3C7H15NO2.C6H10F3NO2.2C6H13NO3.4C6H13NO2.C5H11NO2/c1-9(2)13-8-6-5-7-11(12(16)17-4)14-10(3)15;1-5-6-7-8-9-11(12(14)15)13(4)10(2)3;1-7(2)5-9(10(11)12)6-8(3)4;1-6(2)10-7(8(11)12)9(3,4)5;1-5-7(4)8(9(11)12)10-6(2)3;1-5(2)10-6(8(12)13)3-4-7(9)11;1-5(2)9-6(8(12)13)3-4-7(10)11;1-7(2)9(3)8(4-10,5-11)6-12;1-5(2)9-6(7(10)11)8(3,4)12;1-6(2)9-7(8(10)11)4-5-12-3;1-6(2)9-8(3,4)7(10)11-5;1-6(2)9-8(3,4)5-7(10)11;1-5(2)7(8(10)11)9-6(3)4;2*1-4-5-7(8(10)11)9-6(2)3;1-4(2)11-5(6(12)13)3-7(8,9)10;1-4(2)9-5(7(11)12)3-6(8)10;1-5(2)9-6(3-4-8)7(10)11;1-6(2)8-4-5-9-7(3)10;1-4(2)8-5(7(11)12)3-6(9)10;1-6(2)8-7(3-9,4-10)5-11;2*1-5(2)8-6(4-9)3-7(10)11;1-5(2)8-4-6(9)3-7(10)11;1-5(2)8-6(3-4-9)7(10)11;1-4(2)8-6(5(3)9)7(10)11;1-5(2)8-4-6(3)7(9)10;1-5(2)8-6(3)4-7(9)10;1-4-6(7(9)10)8-5(2)3;1-3(2)10-4(5(11)12)6(7,8)9;2*1-4(2)7-5(3-8)6(9)10;1-5(2)7(3)4-6(8)9;2*1-5(2)7-4-3-6(8)9;1-4(2)7-5(3)6(8)9;1-4(2)6-3-5(7)8/h9,11,13H,5-8H2,1-4H3,(H,14,15);10-11H,5-9H2,1-4H3,(H,14,15);7-9H,5-6H2,1-4H3,(H,11,12);6-7,10H,1-5H3,(H,11,12);6-8,10H,5H2,1-4H3,(H,11,12);5-6,10H,3-4H2,1-2H3,(H2,9,11)(H,12,13);5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);7,10-12H,4-6H2,1-3H3;5-6,9,12H,1-4H3,(H,10,11);6-7,9H,4-5H2,1-3H3,(H,10,11);6,9H,1-5H3;6,9H,5H2,1-4H3,(H,10,11);5-7,9H,1-4H3,(H,10,11);6-7,9H,4-5H2,1-3H3,(H,10,11);4,6-7,9H,1,5H2,2-3H3,(H,10,11);4-5,11H,3H2,1-2H3,(H,12,13);4-5,9H,3H2,1-2H3,(H2,8,10)(H,11,12);5-6,9H,3H2,1-2H3,(H,10,11);6,8H,4-5H2,1-3H3,(H,9,10);4-5,8H,3H2,1-2H3,(H,9,10)(H,11,12);6,8-11H,3-5H2,1-2H3;4*5-6,8-9H,3-4H2,1-2H3,(H,10,11);4-6,8-9H,1-3H3,(H,10,11);3*5-6,8H,4H2,1-3H3,(H,9,10);3-4,10H,1-2H3,(H,11,12);2*4-5,7-8H,3H2,1-2H3,(H,9,10);5H,4H2,1-3H3,(H,8,9);2*5,7H,3-4H2,1-2H3,(H,8,9);4-5,7H,1-3H3,(H,8,9);4,6H,3H2,1-2H3,(H,7,8)
InChIKeyZBRZPEUOLSBEBY-UHFFFAOYSA-N
MW6068.92 g/mol
LogP18.30
Rot. Bonds168

About 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid

4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid (PubChem CID 162075970) has the molecular formula C277H577F6N41O90S and a molecular weight of 6068.92 g/mol. Its IUPAC name is 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid
PubChem CID162075970
Molecular FormulaC277H577F6N41O90S
Molecular Weight6068.92 g/mol
Exact Mass6065.15
IUPAC Name4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid
SMILESC=CCC(NC(C)C)C(=O)O.CC(=O)NCCNC(C)C.CC(C)CC(CC(C)C)C(=O)O.CC(C)N(C)C(CO)(CO)CO.CC(C)N(C)CC(=O)O.CC(C)NC(C(=O)O)C(C)(C)C.CC(C)NC(C(=O)O)C(C)(C)O.CC(C)NC(C(=O)O)C(C)C.CC(C)NC(C(=O)O)C(C)O.CC(C)NC(C(=O)O)C(F)(F)F.CC(C)NC(C)(C)CC(=O)O.CC(C)NC(C)C(=O)O.CC(C)NC(C)CC(=O)O.CC(C)NC(CC#N)C(=O)O.CC(C)NC(CC(=O)O)C(=O)O.CC(C)NC(CC(F)(F)F)C(=O)O.CC(C)NC(CC(N)=O)C(=O)O.CC(C)NC(CCC(=O)O)C(=O)O.CC(C)NC(CCC(N)=O)C(=O)O.CC(C)NC(CCO)C(=O)O.CC(C)NC(CO)(CO)CO.CC(C)NC(CO)C(=O)O.CC(C)NC(CO)C(=O)O.CC(C)NC(CO)CC(=O)O.CC(C)NC(CO)CC(=O)O.CC(C)NCC(=O)O.CC(C)NCC(C)C(=O)O.CC(C)NCC(O)CC(=O)O.CC(C)NCCC(=O)O.CC(C)NCCC(=O)O.CCC(C)C(NC(C)C)C(=O)O.CCC(NC(C)C)C(=O)O.CCCC(NC(C)C)C(=O)O.CCCCCCC(C(=O)O)N(C)C(C)C.COC(=O)C(C)(C)NC(C)C.COC(=O)C(CCCCNC(C)C)NC(C)=O.CSCCC(NC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3.C12H25NO2.C10H20O2.2C9H19NO2.C8H16N2O3.C8H15NO4.C8H19NO3.C8H17NO3.C8H17NO2S.4C8H17NO2.C8H15NO2.C7H12F3NO2.C7H14N2O3.C7H12N2O2.C7H16N2O.C7H13NO4.C7H17NO3.5C7H15NO3.3C7H15NO2.C6H10F3NO2.2C6H13NO3.4C6H13NO2.C5H11NO2/c1-9(2)13-8-6-5-7-11(12(16)17-4)14-10(3)15;1-5-6-7-8-9-11(12(14)15)13(4)10(2)3;1-7(2)5-9(10(11)12)6-8(3)4;1-6(2)10-7(8(11)12)9(3,4)5;1-5-7(4)8(9(11)12)10-6(2)3;1-5(2)10-6(8(12)13)3-4-7(9)11;1-5(2)9-6(8(12)13)3-4-7(10)11;1-7(2)9(3)8(4-10,5-11)6-12;1-5(2)9-6(7(10)11)8(3,4)12;1-6(2)9-7(8(10)11)4-5-12-3;1-6(2)9-8(3,4)7(10)11-5;1-6(2)9-8(3,4)5-7(10)11;1-5(2)7(8(10)11)9-6(3)4;2*1-4-5-7(8(10)11)9-6(2)3;1-4(2)11-5(6(12)13)3-7(8,9)10;1-4(2)9-5(7(11)12)3-6(8)10;1-5(2)9-6(3-4-8)7(10)11;1-6(2)8-4-5-9-7(3)10;1-4(2)8-5(7(11)12)3-6(9)10;1-6(2)8-7(3-9,4-10)5-11;2*1-5(2)8-6(4-9)3-7(10)11;1-5(2)8-4-6(9)3-7(10)11;1-5(2)8-6(3-4-9)7(10)11;1-4(2)8-6(5(3)9)7(10)11;1-5(2)8-4-6(3)7(9)10;1-5(2)8-6(3)4-7(9)10;1-4-6(7(9)10)8-5(2)3;1-3(2)10-4(5(11)12)6(7,8)9;2*1-4(2)7-5(3-8)6(9)10;1-5(2)7(3)4-6(8)9;2*1-5(2)7-4-3-6(8)9;1-4(2)7-5(3)6(8)9;1-4(2)6-3-5(7)8/h9,11,13H,5-8H2,1-4H3,(H,14,15);10-11H,5-9H2,1-4H3,(H,14,15);7-9H,5-6H2,1-4H3,(H,11,12);6-7,10H,1-5H3,(H,11,12);6-8,10H,5H2,1-4H3,(H,11,12);5-6,10H,3-4H2,1-2H3,(H2,9,11)(H,12,13);5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);7,10-12H,4-6H2,1-3H3;5-6,9,12H,1-4H3,(H,10,11);6-7,9H,4-5H2,1-3H3,(H,10,11);6,9H,1-5H3;6,9H,5H2,1-4H3,(H,10,11);5-7,9H,1-4H3,(H,10,11);6-7,9H,4-5H2,1-3H3,(H,10,11);4,6-7,9H,1,5H2,2-3H3,(H,10,11);4-5,11H,3H2,1-2H3,(H,12,13);4-5,9H,3H2,1-2H3,(H2,8,10)(H,11,12);5-6,9H,3H2,1-2H3,(H,10,11);6,8H,4-5H2,1-3H3,(H,9,10);4-5,8H,3H2,1-2H3,(H,9,10)(H,11,12);6,8-11H,3-5H2,1-2H3;4*5-6,8-9H,3-4H2,1-2H3,(H,10,11);4-6,8-9H,1-3H3,(H,10,11);3*5-6,8H,4H2,1-3H3,(H,9,10);3-4,10H,1-2H3,(H,11,12);2*4-5,7-8H,3H2,1-2H3,(H,9,10);5H,4H2,1-3H3,(H,8,9);2*5,7H,3-4H2,1-2H3,(H,8,9);4-5,7H,1-3H3,(H,8,9);4,6H,3H2,1-2H3,(H,7,8)
InChIKeyZBRZPEUOLSBEBY-UHFFFAOYSA-N
XLogP18.30
TPSA2178.90 Ų
H-Bond Donors85
H-Bond Acceptors94
Rotatable Bonds168
Heavy Atoms415
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006068.92
LogP ≤ 518.30
H-Bond Donors ≤ 585
H-Bond Acceptors ≤ 1094

Analyze 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,6-diaminohexanoyl]amino]pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 171922537
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 11194030
(2S)-2-[[(2S)-5-amino-2-[[(2R,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[(2R)-2,5-di(hexadecanoyloxy)pentyl]sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 162671320
5-[[1-[[1-[[4-amino-1-[[1-[[1-[[1-[[5-amino-1-[[4-amino-1-[[1-[[1-[[3-carboxy-1-[[2-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-[[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 163008857
(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-3-hydroxy-2-[[2-(octadecanoylamino)acetyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
CID 102324685
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2R)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 164512867
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
CID 5480943
1,1-difluoro-3-methylbutane;2,2-difluoro-5-methylhexane;N,3-dimethylbutanamide;N,3-dimethylbutan-1-amine;1-fluoro-2-(fluoromethyl)-3-methylbutane;1-isocyano-2-methylpropane;1-methoxy-2,3-dimethylbutane;1-methoxy-2-(methoxymethyl)-3-methylbutane;bis(1-methoxy-3-methylbutane);3-(methoxymethyl)-2,4-dimethylpentan-2-ol;2-(methoxymethyl)-3-methylbutanoic acid;2-(methoxymethyl)-3-methylbutan-1-ol;(2S)-2-methoxy-4-methylpentane;3-methylbutanamide;2-methylbutane;bis(3-methylbutan-1-ol);2-methylhexane;methyl 2-(methoxymethyl)-3-methylbutanoate;methyl 3-methylbutanoate;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);(2S)-3-methyl-2-(trifluoromethyl)butan-1-ol;(2R)-1,1,1-trifluoro-2-(methoxymethyl)-3-methylbutane;(2S)-1,1,1-trifluoro-2-(methoxymethyl)-3-methylbutane
CID 157163932
(4S)-5-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
CID 175859199
(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 118718841
(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 56675031
(3S)-3-amino-4-[[(2R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-3-carboxy-1-[[(2S,3R)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid
CID 175899674

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid (CID 162075970) is 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid is C=CCC(NC(C)C)C(=O)O.CC(=O)NCCNC(C)C.CC(C)CC(CC(C)C)C(=O)O.CC(C)N(C)C(CO)(CO)CO.CC(C)N(C)CC(=O)O.CC(C)NC(C(=O)O)C(C)(C)C.CC(C)NC(C(=O)O)C(C)(C)O.CC(C)NC(C(=O)O)C(C)C.CC(C)NC(C(=O)O)C(C)O.CC(C)NC(C(=O)O)C(F)(F)F.CC(C)NC(C)(C)CC(=O)O.CC(C)NC(C)C(=O)O.CC(C)NC(C)CC(=O)O.CC(C)NC(CC#N)C(=O)O.CC(C)NC(CC(=O)O)C(=O)O.CC(C)NC(CC(F)(F)F)C(=O)O.CC(C)NC(CC(N)=O)C(=O)O.CC(C)NC(CCC(=O)O)C(=O)O.CC(C)NC(CCC(N)=O)C(=O)O.CC(C)NC(CCO)C(=O)O.CC(C)NC(CO)(CO)CO.CC(C)NC(CO)C(=O)O.CC(C)NC(CO)C(=O)O.CC(C)NC(CO)CC(=O)O.CC(C)NC(CO)CC(=O)O.CC(C)NCC(=O)O.CC(C)NCC(C)C(=O)O.CC(C)NCC(O)CC(=O)O.CC(C)NCCC(=O)O.CC(C)NCCC(=O)O.CCC(C)C(NC(C)C)C(=O)O.CCC(NC(C)C)C(=O)O.CCCC(NC(C)C)C(=O)O.CCCCCCC(C(=O)O)N(C)C(C)C.COC(=O)C(C)(C)NC(C)C.COC(=O)C(CCCCNC(C)C)NC(C)=O.CSCCC(NC(C)C)C(=O)O.
What is the InChIKey of 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid?
The InChIKey is ZBRZPEUOLSBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.C12H25NO2.C10H20O2.2C9H19NO2.C8H16N2O3.C8H15NO4.C8H19NO3.C8H17NO3.C8H17NO2S.4C8H17NO2.C8H15NO2.C7H12F3NO2.C7H14N2O3.C7H12N2O2.C7H16N2O.C7H13NO4.C7H17NO3.5C7H15NO3.3C7H15NO2.C6H10F3NO2.2C6H13NO3.4C6H13NO2.C5H11NO2/c1-9(2)13-8-6-5-7-11(12(16)17-4)14-10(3)15;1-5-6-7-8-9-11(12(14)15)13(4)10(2)3;1-7(2)5-9(10(11)12)6-8(3)4;1-6(2)10-7(8(11)12)9(3,4)5;1-5-7(4)8(9(11)12)10-6(2)3;1-5(2)10-6(8(12)13)3-4-7(9)11;1-5(2)9-6(8(12)13)3-4-7(10)11;1-7(2)9(3)8(4-10,5-11)6-12;1-5(2)9-6(7(10)11)8(3,4)12;1-6(2)9-7(8(10)11)4-5-12-3;1-6(2)9-8(3,4)7(10)11-5;1-6(2)9-8(3,4)5-7(10)11;1-5(2)7(8(10)11)9-6(3)4;2*1-4-5-7(8(10)11)9-6(2)3;1-4(2)11-5(6(12)13)3-7(8,9)10;1-4(2)9-5(7(11)12)3-6(8)10;1-5(2)9-6(3-4-8)7(10)11;1-6(2)8-4-5-9-7(3)10;1-4(2)8-5(7(11)12)3-6(9)10;1-6(2)8-7(3-9,4-10)5-11;2*1-5(2)8-6(4-9)3-7(10)11;1-5(2)8-4-6(9)3-7(10)11;1-5(2)8-6(3-4-9)7(10)11;1-4(2)8-6(5(3)9)7(10)11;1-5(2)8-4-6(3)7(9)10;1-5(2)8-6(3)4-7(9)10;1-4-6(7(9)10)8-5(2)3;1-3(2)10-4(5(11)12)6(7,8)9;2*1-4(2)7-5(3-8)6(9)10;1-5(2)7(3)4-6(8)9;2*1-5(2)7-4-3-6(8)9;1-4(2)7-5(3)6(8)9;1-4(2)6-3-5(7)8/h9,11,13H,5-8H2,1-4H3,(H,14,15);10-11H,5-9H2,1-4H3,(H,14,15);7-9H,5-6H2,1-4H3,(H,11,12);6-7,10H,1-5H3,(H,11,12);6-8,10H,5H2,1-4H3,(H,11,12);5-6,10H,3-4H2,1-2H3,(H2,9,11)(H,12,13);5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);7,10-12H,4-6H2,1-3H3;5-6,9,12H,1-4H3,(H,10,11);6-7,9H,4-5H2,1-3H3,(H,10,11);6,9H,1-5H3;6,9H,5H2,1-4H3,(H,10,11);5-7,9H,1-4H3,(H,10,11);6-7,9H,4-5H2,1-3H3,(H,10,11);4,6-7,9H,1,5H2,2-3H3,(H,10,11);4-5,11H,3H2,1-2H3,(H,12,13);4-5,9H,3H2,1-2H3,(H2,8,10)(H,11,12);5-6,9H,3H2,1-2H3,(H,10,11);6,8H,4-5H2,1-3H3,(H,9,10);4-5,8H,3H2,1-2H3,(H,9,10)(H,11,12);6,8-11H,3-5H2,1-2H3;4*5-6,8-9H,3-4H2,1-2H3,(H,10,11);4-6,8-9H,1-3H3,(H,10,11);3*5-6,8H,4H2,1-3H3,(H,9,10);3-4,10H,1-2H3,(H,11,12);2*4-5,7-8H,3H2,1-2H3,(H,9,10);5H,4H2,1-3H3,(H,8,9);2*5,7H,3-4H2,1-2H3,(H,8,9);4-5,7H,1-3H3,(H,8,9);4,6H,3H2,1-2H3,(H,7,8).
What are the key properties of 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid?
4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid has a molecular weight of 6068.92 g/mol, XLogP of 18.30, 168 rotatable bonds, 85 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-oxo-2-(propan-2-ylamino)butanoic acid;5-amino-5-oxo-2-(propan-2-ylamino)pentanoic acid;3-cyano-2-(propan-2-ylamino)propanoic acid;3,3-dimethyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-[methyl(propan-2-yl)amino]propane-1,3-diol;3-hydroxy-3-methyl-2-(propan-2-ylamino)butanoic acid;2-(hydroxymethyl)-2-(propan-2-ylamino)propane-1,3-diol;3-hydroxy-2-(propan-2-ylamino)butanoic acid;3-hydroxy-4-(propan-2-ylamino)butanoic acid;4-hydroxy-2-(propan-2-ylamino)butanoic acid;bis(4-hydroxy-3-(propan-2-ylamino)butanoic acid);bis(3-hydroxy-2-(propan-2-ylamino)propanoic acid);methyl 2-acetamido-6-(propan-2-ylamino)hexanoate;methyl 2-methyl-2-(propan-2-ylamino)propanoate;4-methyl-2-(2-methylpropyl)pentanoic acid;2-[methyl(propan-2-yl)amino]acetic acid;3-methyl-2-(propan-2-ylamino)butanoic acid;3-methyl-3-(propan-2-ylamino)butanoic acid;2-[methyl(propan-2-yl)amino]octanoic acid;3-methyl-2-(propan-2-ylamino)pentanoic acid;2-methyl-3-(propan-2-ylamino)propanoic acid;4-methylsulfanyl-2-(propan-2-ylamino)butanoic acid;2-(propan-2-ylamino)acetic acid;2-(propan-2-ylamino)butanedioic acid;2-(propan-2-ylamino)butanoic acid;3-(propan-2-ylamino)butanoic acid;N-[2-(propan-2-ylamino)ethyl]acetamide;2-(propan-2-ylamino)pentanedioic acid;2-(propan-2-ylamino)pentanoic acid;2-(propan-2-ylamino)pent-4-enoic acid;2-(propan-2-ylamino)propanoic acid;bis(3-(propan-2-ylamino)propanoic acid);4,4,4-trifluoro-2-(propan-2-ylamino)butanoic acid;3,3,3-trifluoro-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 162075970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).