(4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one

C165H313N29O29S2 — CID 159565650

IUPAC(4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one
SMILESCC(=O)[C@@H](N)CC(N)=O.CC(C)C(=O)CN.CC(C)C(=O)[C@@H](N)C(C)C.CC(C)C(=O)[C@@H](N)CC(=O)O.CC(C)C(=O)[C@@H](N)CCC(=O)O.CC(C)C(=O)[C@@H](N)CCC(N)=O.CC(C)C(=O)[C@@H](N)CCCCN.CC(C)C(=O)[C@@H](N)CCCN=C(N)N.CC(C)C(=O)[C@@H](N)CO.CC(C)C(=O)[C@@H](N)CS.CC(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.CC(C)C(=O)[C@@H](N)Cc1ccc(O)cc1.CC(C)C(=O)[C@@H](N)Cc1ccccc1.CC(C)C(=O)[C@@H](N)Cc1cnc[nH]1.CC(C)C(=O)[C@@H](N)[C@H](C)O.CC(C)C(=O)[C@@H]1CCCN1.CC(C)C(=O)[C@H](C)N.CC(C)C[C@H](N)C(=O)C(C)C.CC[C@@H](C)[C@H](N)C(=O)C(C)C.CSCC[C@H](N)C(=O)C(C)C
InChIInChI=1S/C14H18N2O.C12H17NO2.C12H17NO.C9H20N4O.C9H15N3O.C9H20N2O.2C9H19NO.C8H16N2O2.C8H15NO3.C8H17NOS.C8H15NO.C8H17NO.C7H13NO3.C7H15NO2.C6H13NO2.C6H13NOS.C6H13NO.C5H10N2O2.C5H11NO/c1-9(2)14(17)12(15)7-10-8-16-13-6-4-3-5-11(10)13;1-8(2)12(15)11(13)7-9-3-5-10(14)6-4-9;1-9(2)12(14)11(13)8-10-6-4-3-5-7-10;1-6(2)8(14)7(10)4-3-5-13-9(11)12;1-6(2)9(13)8(10)3-7-4-11-5-12-7;1-7(2)9(12)8(11)5-3-4-6-10;1-6(2)5-8(10)9(11)7(3)4;1-5-7(4)8(10)9(11)6(2)3;2*1-5(2)8(12)6(9)3-4-7(10)11;1-6(2)8(10)7(9)4-5-11-3;1-6(2)8(10)7-4-3-5-9-7;1-5(2)7(9)8(10)6(3)4;1-4(2)7(11)5(8)3-6(9)10;1-4(2)7(10)6(8)5(3)9;1-4(2)6(9)5(7)3-8;1-4(2)6(8)5(7)3-9;1-4(2)6(8)5(3)7;1-3(8)4(6)2-5(7)9;1-4(2)5(7)3-6/h3-6,8-9,12,16H,7,15H2,1-2H3;3-6,8,11,14H,7,13H2,1-2H3;3-7,9,11H,8,13H2,1-2H3;6-7H,3-5,10H2,1-2H3,(H4,11,12,13);4-6,8H,3,10H2,1-2H3,(H,11,12);7-8H,3-6,10-11H2,1-2H3;2*6-8H,5,10H2,1-4H3;5-6H,3-4,9H2,1-2H3,(H2,10,11);5-6H,3-4,9H2,1-2H3,(H,10,11);6-7H,4-5,9H2,1-3H3;6-7,9H,3-5H2,1-2H3;5-7H,9H2,1-4H3;4-5H,3,8H2,1-2H3,(H,9,10);4-6,9H,8H2,1-3H3;4-5,8H,3,7H2,1-2H3;4-5,9H,3,7H2,1-2H3;4-5H,7H2,1-3H3;4H,2,6H2,1H3,(H2,7,9);4H,3,6H2,1-2H3/t12-;2*11-;7-;3*8-;7-,8+;2*6-;3*7-;5-;5-,6-;3*5-;4-;/m0000000100000000000./s1
InChIKeyMHDXJALPSMNFDC-CEVVAKNKSA-N
MW3231.63 g/mol
LogP12.56
Rot. Bonds76

About (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one

(4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one (PubChem CID 159565650) has the molecular formula C165H313N29O29S2 and a molecular weight of 3231.63 g/mol. Its IUPAC name is (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name(4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one
PubChem CID159565650
Molecular FormulaC165H313N29O29S2
Molecular Weight3231.63 g/mol
Exact Mass3229.34
IUPAC Name(4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one
SMILESCC(=O)[C@@H](N)CC(N)=O.CC(C)C(=O)CN.CC(C)C(=O)[C@@H](N)C(C)C.CC(C)C(=O)[C@@H](N)CC(=O)O.CC(C)C(=O)[C@@H](N)CCC(=O)O.CC(C)C(=O)[C@@H](N)CCC(N)=O.CC(C)C(=O)[C@@H](N)CCCCN.CC(C)C(=O)[C@@H](N)CCCN=C(N)N.CC(C)C(=O)[C@@H](N)CO.CC(C)C(=O)[C@@H](N)CS.CC(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.CC(C)C(=O)[C@@H](N)Cc1ccc(O)cc1.CC(C)C(=O)[C@@H](N)Cc1ccccc1.CC(C)C(=O)[C@@H](N)Cc1cnc[nH]1.CC(C)C(=O)[C@@H](N)[C@H](C)O.CC(C)C(=O)[C@@H]1CCCN1.CC(C)C(=O)[C@H](C)N.CC(C)C[C@H](N)C(=O)C(C)C.CC[C@@H](C)[C@H](N)C(=O)C(C)C.CSCC[C@H](N)C(=O)C(C)C
InChIInChI=1S/C14H18N2O.C12H17NO2.C12H17NO.C9H20N4O.C9H15N3O.C9H20N2O.2C9H19NO.C8H16N2O2.C8H15NO3.C8H17NOS.C8H15NO.C8H17NO.C7H13NO3.C7H15NO2.C6H13NO2.C6H13NOS.C6H13NO.C5H10N2O2.C5H11NO/c1-9(2)14(17)12(15)7-10-8-16-13-6-4-3-5-11(10)13;1-8(2)12(15)11(13)7-9-3-5-10(14)6-4-9;1-9(2)12(14)11(13)8-10-6-4-3-5-7-10;1-6(2)8(14)7(10)4-3-5-13-9(11)12;1-6(2)9(13)8(10)3-7-4-11-5-12-7;1-7(2)9(12)8(11)5-3-4-6-10;1-6(2)5-8(10)9(11)7(3)4;1-5-7(4)8(10)9(11)6(2)3;2*1-5(2)8(12)6(9)3-4-7(10)11;1-6(2)8(10)7(9)4-5-11-3;1-6(2)8(10)7-4-3-5-9-7;1-5(2)7(9)8(10)6(3)4;1-4(2)7(11)5(8)3-6(9)10;1-4(2)7(10)6(8)5(3)9;1-4(2)6(9)5(7)3-8;1-4(2)6(8)5(7)3-9;1-4(2)6(8)5(3)7;1-3(8)4(6)2-5(7)9;1-4(2)5(7)3-6/h3-6,8-9,12,16H,7,15H2,1-2H3;3-6,8,11,14H,7,13H2,1-2H3;3-7,9,11H,8,13H2,1-2H3;6-7H,3-5,10H2,1-2H3,(H4,11,12,13);4-6,8H,3,10H2,1-2H3,(H,11,12);7-8H,3-6,10-11H2,1-2H3;2*6-8H,5,10H2,1-4H3;5-6H,3-4,9H2,1-2H3,(H2,10,11);5-6H,3-4,9H2,1-2H3,(H,10,11);6-7H,4-5,9H2,1-3H3;6-7,9H,3-5H2,1-2H3;5-7H,9H2,1-4H3;4-5H,3,8H2,1-2H3,(H,9,10);4-6,9H,8H2,1-3H3;4-5,8H,3,7H2,1-2H3;4-5,9H,3,7H2,1-2H3;4-5H,7H2,1-3H3;4H,2,6H2,1H3,(H2,7,9);4H,3,6H2,1-2H3/t12-;2*11-;7-;3*8-;7-,8+;2*6-;3*7-;5-;5-,6-;3*5-;4-;/m0000000100000000000./s1
InChIKeyMHDXJALPSMNFDC-CEVVAKNKSA-N
XLogP12.56
TPSA1204.17 Ų
H-Bond Donors33
H-Bond Acceptors52
Rotatable Bonds76
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003231.63
LogP ≤ 512.56
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1052

Analyze (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174420454
(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 158144043
2-aminoacetic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-methylbutanoyl]oxybutanoic acid;(2S,3R)-2-amino-3-[(2S)-2-amino-3-phenylpropanoyl]oxybutanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-amino-3-methylbutanoic acid;tris((2S)-2-amino-4-methylpentanoic acid);bis((2S,3S)-2-amino-3-methylpentanoic acid);tetrakis((2S)-2-aminopentanedioic acid);(2S)-2-amino-3-phenylpropanoic acid;bis((2R)-2-amino-3-sulfanylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;bis((2S)-2,5-diamino-5-oxopentanoic acid)
CID 173344267
2-aminoacetic acid;(2S)-2-amino-5-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3,5-diiodophenoxy]-3,5-diiodophenyl]propanoyl]oxybutanoyl]oxy-5-oxopentanoic acid;(2S)-2-amino-3-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxypropanoic acid;(2S)-6-amino-2-(hydroxyamino)hexanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;[(2R)-2-amino-3-sulfanylpropanoyl] (2S)-2-amino-4-methylpentanoate;(2S)-4-[(2S)-2,6-diaminohexanoyl]oxypyrrolidine-2-carboxylic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173317822
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;tris((2S)-2-amino-3-hydroxypropanoic acid);bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid);bis((2S)-2-amino-3-methylbutanoic acid);hexakis((2S)-2-amino-4-methylpentanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174778549
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2,6-diaminohexanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173034560
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-hydroxypropanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2-amino-4-methylpentanoic acid;2,4-diamino-4-oxobutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 175227843
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 175999854
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 91933355
(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-4-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid
CID 175732260
2-aminoacetic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-4-methylpentanoic acid;bis(2,6-diaminohexanoic acid)
CID 175468651
(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 91933359

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one?
The IUPAC name of (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one (CID 159565650) is (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one is CC(=O)[C@@H](N)CC(N)=O.CC(C)C(=O)CN.CC(C)C(=O)[C@@H](N)C(C)C.CC(C)C(=O)[C@@H](N)CC(=O)O.CC(C)C(=O)[C@@H](N)CCC(=O)O.CC(C)C(=O)[C@@H](N)CCC(N)=O.CC(C)C(=O)[C@@H](N)CCCCN.CC(C)C(=O)[C@@H](N)CCCN=C(N)N.CC(C)C(=O)[C@@H](N)CO.CC(C)C(=O)[C@@H](N)CS.CC(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.CC(C)C(=O)[C@@H](N)Cc1ccc(O)cc1.CC(C)C(=O)[C@@H](N)Cc1ccccc1.CC(C)C(=O)[C@@H](N)Cc1cnc[nH]1.CC(C)C(=O)[C@@H](N)[C@H](C)O.CC(C)C(=O)[C@@H]1CCCN1.CC(C)C(=O)[C@H](C)N.CC(C)C[C@H](N)C(=O)C(C)C.CC[C@@H](C)[C@H](N)C(=O)C(C)C.CSCC[C@H](N)C(=O)C(C)C.
What is the InChIKey of (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one?
The InChIKey is MHDXJALPSMNFDC-CEVVAKNKSA-N. The full InChI is InChI=1S/C14H18N2O.C12H17NO2.C12H17NO.C9H20N4O.C9H15N3O.C9H20N2O.2C9H19NO.C8H16N2O2.C8H15NO3.C8H17NOS.C8H15NO.C8H17NO.C7H13NO3.C7H15NO2.C6H13NO2.C6H13NOS.C6H13NO.C5H10N2O2.C5H11NO/c1-9(2)14(17)12(15)7-10-8-16-13-6-4-3-5-11(10)13;1-8(2)12(15)11(13)7-9-3-5-10(14)6-4-9;1-9(2)12(14)11(13)8-10-6-4-3-5-7-10;1-6(2)8(14)7(10)4-3-5-13-9(11)12;1-6(2)9(13)8(10)3-7-4-11-5-12-7;1-7(2)9(12)8(11)5-3-4-6-10;1-6(2)5-8(10)9(11)7(3)4;1-5-7(4)8(10)9(11)6(2)3;2*1-5(2)8(12)6(9)3-4-7(10)11;1-6(2)8(10)7(9)4-5-11-3;1-6(2)8(10)7-4-3-5-9-7;1-5(2)7(9)8(10)6(3)4;1-4(2)7(11)5(8)3-6(9)10;1-4(2)7(10)6(8)5(3)9;1-4(2)6(9)5(7)3-8;1-4(2)6(8)5(7)3-9;1-4(2)6(8)5(3)7;1-3(8)4(6)2-5(7)9;1-4(2)5(7)3-6/h3-6,8-9,12,16H,7,15H2,1-2H3;3-6,8,11,14H,7,13H2,1-2H3;3-7,9,11H,8,13H2,1-2H3;6-7H,3-5,10H2,1-2H3,(H4,11,12,13);4-6,8H,3,10H2,1-2H3,(H,11,12);7-8H,3-6,10-11H2,1-2H3;2*6-8H,5,10H2,1-4H3;5-6H,3-4,9H2,1-2H3,(H2,10,11);5-6H,3-4,9H2,1-2H3,(H,10,11);6-7H,4-5,9H2,1-3H3;6-7,9H,3-5H2,1-2H3;5-7H,9H2,1-4H3;4-5H,3,8H2,1-2H3,(H,9,10);4-6,9H,8H2,1-3H3;4-5,8H,3,7H2,1-2H3;4-5,9H,3,7H2,1-2H3;4-5H,7H2,1-3H3;4H,2,6H2,1H3,(H2,7,9);4H,3,6H2,1-2H3/t12-;2*11-;7-;3*8-;7-,8+;2*6-;3*7-;5-;5-,6-;3*5-;4-;/m0000000100000000000./s1.
What are the key properties of (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one?
(4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one has a molecular weight of 3231.63 g/mol, XLogP of 12.56, 76 rotatable bonds, 33 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-2,6-dimethylheptan-3-one;(4S,5R)-4-amino-2,5-dimethylheptan-3-one;(4S)-4-amino-2,5-dimethylhexan-3-one;(4S,5S)-4-amino-5-hydroxy-2-methylhexan-3-one;(2S)-2-amino-1-hydroxy-4-methylpentan-3-one;(2S)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-one;(2S)-2-amino-1-(1H-indol-3-yl)-4-methylpentan-3-one;1-amino-3-methylbutan-2-one;(4S)-4-amino-2-methyl-6-methylsulfanylhexan-3-one;(4S)-4-amino-6-methyl-5-oxoheptanamide;(4S)-4-amino-6-methyl-5-oxoheptanoic acid;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;(3S)-3-amino-5-methyl-4-oxohexanoic acid;(2S)-2-amino-4-methylpentan-3-one;(2S)-2-amino-4-methyl-1-phenylpentan-3-one;(2R)-2-amino-4-methyl-1-sulfanylpentan-3-one;(3S)-3-amino-4-oxopentanamide;(4S)-4,8-diamino-2-methyloctan-3-one;2-methyl-1-[(2S)-pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 159565650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).