benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one

C184H266F3N25O59S3 — CID 162152121

IUPACbenzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)C1C(=O)NCCN1C(=O)OCc1ccccc1.CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O.CC(C)[C@@H]1C(=O)NC=CN1C(=O)OCc1ccccc1.CC(C)[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C.CC(C)[C@H]1NCCNC1=O.COC(=O)c1cc(N)c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1S(C)(=O)=O.COC(=O)c1cc([N+](=O)[O-])c(F)cc1F.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)C(C(C)C)C2=O)cc1F.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1S(C)(=O)=O.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1SC.COC(C)CNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C.COC(CN)OC
InChIInChI=1S/C21H29N3O9S.C21H29N3O7S.C21H31N3O7S.C20H26FN3O7.C17H26N2O4.C15H20N2O3.C15H18N2O3.C13H17NO4.C12H22N2O3.C10H18O5.C8H5F2NO4.C7H14N2O.C4H11NO2/c1-12(2)17-18(25)22(8-9-23(17)20(27)33-21(3,4)5)14-11-16(34(7,30)31)13(19(26)32-6)10-15(14)24(28)29;1-12(2)17-18(25)22(8-9-23(17)20(27)31-21(3,4)5)14-11-16(32-7)13(19(26)30-6)10-15(14)24(28)29;1-12(2)17-18(25)23(8-9-24(17)20(27)31-21(3,4)5)15-11-16(32(7,28)29)13(10-14(15)22)19(26)30-6;1-11(2)16-17(25)22(7-8-23(16)19(27)31-20(3,4)5)14-10-13(21)12(18(26)30-6)9-15(14)24(28)29;1-12(2)15(16(20)18-10-13(3)22-4)19-17(21)23-11-14-8-6-5-7-9-14;2*1-11(2)13-14(18)16-8-9-17(13)15(19)20-10-12-6-4-3-5-7-12;1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;1-8(2)9-10(15)13-6-7-14(9)11(16)17-12(3,4)5;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9;1-5(2)6-7(10)9-4-3-8-6;1-6-4(3-5)7-2/h10-12,17H,8-9H2,1-7H3;10-12,17H,8-9H2,1-7H3;10-12,17H,8-9,22H2,1-7H3;9-11,16H,7-8H2,1-6H3;5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)(H,19,21);3-7,11,13H,8-10H2,1-2H3,(H,16,18);3-9,11,13H,10H2,1-2H3,(H,16,18);3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);8-9H,6-7H2,1-5H3,(H,13,15);1-6H3;2-3H,1H3;5-6,8H,3-4H2,1-2H3,(H,9,10);4H,3,5H2,1-2H3/t3*17-;;13?,15-;;13-;11-;9-;;;6-;/m111.1.111..1./s1
InChIKeyZLIVYDDQSDBGSF-QDSFYTHESA-N
MW3925.46 g/mol
LogP24.65
Rot. Bonds44

About benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one

benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one (PubChem CID 162152121) has the molecular formula C184H266F3N25O59S3 and a molecular weight of 3925.46 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one
PubChem CID162152121
Molecular FormulaC184H266F3N25O59S3
Molecular Weight3925.46 g/mol
Exact Mass3922.77
IUPAC Namebenzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)C1C(=O)NCCN1C(=O)OCc1ccccc1.CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O.CC(C)[C@@H]1C(=O)NC=CN1C(=O)OCc1ccccc1.CC(C)[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C.CC(C)[C@H]1NCCNC1=O.COC(=O)c1cc(N)c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1S(C)(=O)=O.COC(=O)c1cc([N+](=O)[O-])c(F)cc1F.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)C(C(C)C)C2=O)cc1F.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1S(C)(=O)=O.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1SC.COC(C)CNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C.COC(CN)OC
InChIInChI=1S/C21H29N3O9S.C21H29N3O7S.C21H31N3O7S.C20H26FN3O7.C17H26N2O4.C15H20N2O3.C15H18N2O3.C13H17NO4.C12H22N2O3.C10H18O5.C8H5F2NO4.C7H14N2O.C4H11NO2/c1-12(2)17-18(25)22(8-9-23(17)20(27)33-21(3,4)5)14-11-16(34(7,30)31)13(19(26)32-6)10-15(14)24(28)29;1-12(2)17-18(25)22(8-9-23(17)20(27)31-21(3,4)5)14-11-16(32-7)13(19(26)30-6)10-15(14)24(28)29;1-12(2)17-18(25)23(8-9-24(17)20(27)31-21(3,4)5)15-11-16(32(7,28)29)13(10-14(15)22)19(26)30-6;1-11(2)16-17(25)22(7-8-23(16)19(27)31-20(3,4)5)14-10-13(21)12(18(26)30-6)9-15(14)24(28)29;1-12(2)15(16(20)18-10-13(3)22-4)19-17(21)23-11-14-8-6-5-7-9-14;2*1-11(2)13-14(18)16-8-9-17(13)15(19)20-10-12-6-4-3-5-7-12;1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;1-8(2)9-10(15)13-6-7-14(9)11(16)17-12(3,4)5;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9;1-5(2)6-7(10)9-4-3-8-6;1-6-4(3-5)7-2/h10-12,17H,8-9H2,1-7H3;10-12,17H,8-9H2,1-7H3;10-12,17H,8-9,22H2,1-7H3;9-11,16H,7-8H2,1-6H3;5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)(H,19,21);3-7,11,13H,8-10H2,1-2H3,(H,16,18);3-9,11,13H,10H2,1-2H3,(H,16,18);3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);8-9H,6-7H2,1-5H3,(H,13,15);1-6H3;2-3H,1H3;5-6,8H,3-4H2,1-2H3,(H,9,10);4H,3,5H2,1-2H3/t3*17-;;13?,15-;;13-;11-;9-;;;6-;/m111.1.111..1./s1
InChIKeyZLIVYDDQSDBGSF-QDSFYTHESA-N
XLogP24.65
TPSA1073.41 Ų
H-Bond Donors11
H-Bond Acceptors62
Rotatable Bonds44
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003925.46
LogP ≤ 524.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1062

Analyze benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one (CID 162152121) is benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)C1C(=O)NCCN1C(=O)OCc1ccccc1.CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O.CC(C)[C@@H]1C(=O)NC=CN1C(=O)OCc1ccccc1.CC(C)[C@@H]1C(=O)NCCN1C(=O)OC(C)(C)C.CC(C)[C@H]1NCCNC1=O.COC(=O)c1cc(N)c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1S(C)(=O)=O.COC(=O)c1cc([N+](=O)[O-])c(F)cc1F.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)C(C(C)C)C2=O)cc1F.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1S(C)(=O)=O.COC(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C2=O)cc1SC.COC(C)CNC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C.COC(CN)OC.
What is the InChIKey of benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one?
The InChIKey is ZLIVYDDQSDBGSF-QDSFYTHESA-N. The full InChI is InChI=1S/C21H29N3O9S.C21H29N3O7S.C21H31N3O7S.C20H26FN3O7.C17H26N2O4.C15H20N2O3.C15H18N2O3.C13H17NO4.C12H22N2O3.C10H18O5.C8H5F2NO4.C7H14N2O.C4H11NO2/c1-12(2)17-18(25)22(8-9-23(17)20(27)33-21(3,4)5)14-11-16(34(7,30)31)13(19(26)32-6)10-15(14)24(28)29;1-12(2)17-18(25)22(8-9-23(17)20(27)31-21(3,4)5)14-11-16(32-7)13(19(26)30-6)10-15(14)24(28)29;1-12(2)17-18(25)23(8-9-24(17)20(27)31-21(3,4)5)15-11-16(32(7,28)29)13(10-14(15)22)19(26)30-6;1-11(2)16-17(25)22(7-8-23(16)19(27)31-20(3,4)5)14-10-13(21)12(18(26)30-6)9-15(14)24(28)29;1-12(2)15(16(20)18-10-13(3)22-4)19-17(21)23-11-14-8-6-5-7-9-14;2*1-11(2)13-14(18)16-8-9-17(13)15(19)20-10-12-6-4-3-5-7-12;1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;1-8(2)9-10(15)13-6-7-14(9)11(16)17-12(3,4)5;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-15-8(12)4-2-7(11(13)14)6(10)3-5(4)9;1-5(2)6-7(10)9-4-3-8-6;1-6-4(3-5)7-2/h10-12,17H,8-9H2,1-7H3;10-12,17H,8-9H2,1-7H3;10-12,17H,8-9,22H2,1-7H3;9-11,16H,7-8H2,1-6H3;5-9,12-13,15H,10-11H2,1-4H3,(H,18,20)(H,19,21);3-7,11,13H,8-10H2,1-2H3,(H,16,18);3-9,11,13H,10H2,1-2H3,(H,16,18);3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);8-9H,6-7H2,1-5H3,(H,13,15);1-6H3;2-3H,1H3;5-6,8H,3-4H2,1-2H3,(H,9,10);4H,3,5H2,1-2H3/t3*17-;;13?,15-;;13-;11-;9-;;;6-;/m111.1.111..1./s1.
What are the key properties of benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one?
benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one has a molecular weight of 3925.46 g/mol, XLogP of 24.65, 44 rotatable bonds, 11 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(2-methoxypropylamino)-3-methyl-1-oxobutan-2-yl]carbamate;benzyl (3R)-2-oxo-3-propan-2-yl-1,3-dihydropyrazine-4-carboxylate;benzyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(2-amino-4-methoxycarbonyl-5-methylsulfonylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(5-fluoro-4-methoxycarbonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfanyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2R)-4-(4-methoxycarbonyl-5-methylsulfonyl-2-nitrophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl (2R)-3-oxo-2-propan-2-ylpiperazine-1-carboxylate;2,2-dimethoxyethanamine;methyl 2,4-difluoro-5-nitrobenzoate;(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid;(3R)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 162152121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).