(2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide

C187H261N29O21S — CID 161193964

IUPAC(2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)C(C)(C)c3ccccc3)C21.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)Cc3ccccc3)C21.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)c3cn(C)c4ccccc34)C21.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3cccc4ccccc34)C21)C(C)(C)C.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3ccccc3-c3ccccc3)C21)C(C)(C)C.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3csc4ccccc34)C21)C(C)(C)C.C[C@H](N)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)C(c3ccccc3)c3ccccc3)C21)C(C)(C)C
InChIInChI=1S/2C30H40N4O3.C28H38N4O3.C26H36N4O3S.C25H35N5O3.C25H38N4O3.C23H34N4O3/c1-19(31-5)27(35)33-26(30(2,3)4)29(37)34-18-17-21-15-16-24(25(21)34)32-28(36)23-14-10-9-13-22(23)20-11-7-6-8-12-20;1-19(31)27(35)33-26(30(2,3)4)29(37)34-18-17-22-15-16-23(25(22)34)32-28(36)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21;1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20;1-14(2)21(28-23(31)15(3)26)25(33)30-12-11-16-9-10-19(22(16)30)27-24(32)18-13-29(4)20-8-6-5-7-17(18)20;1-15(2)20(28-22(30)16(3)26)23(31)29-14-13-17-11-12-19(21(17)29)27-24(32)25(4,5)18-9-7-6-8-10-18;1-14(2)20(26-22(29)15(3)24)23(30)27-12-11-17-9-10-18(21(17)27)25-19(28)13-16-7-5-4-6-8-16/h6-14,19,21,24-26,31H,15-18H2,1-5H3,(H,32,36)(H,33,35);5-14,19,22-26H,15-18,31H2,1-4H3,(H,32,36)(H,33,35);6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33);6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31);5-8,13-16,19,21-22H,9-12,26H2,1-4H3,(H,27,32)(H,28,31);6-10,15-17,19-21H,11-14,26H2,1-5H3,(H,27,32)(H,28,30);4-8,14-15,17-18,20-21H,9-13,24H2,1-3H3,(H,25,28)(H,26,29)/t19-,21?,24?,25?,26+;19-,22?,23?,25?,26+;17-,19?,22?,23?,24+;15-,16?,19?,21?,22+;15-,16?,19?,21-,22?;16-,17?,19?,20-,21?;15-,17?,18?,20-,21?/m0000000/s1
InChIKeyUUCFOYOXNQSHAS-HIJFSAMHSA-N
MW3283.39 g/mol
LogP17.97
Rot. Bonds46

About (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide

(2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide (PubChem CID 161193964) has the molecular formula C187H261N29O21S and a molecular weight of 3283.39 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide
PubChem CID161193964
Molecular FormulaC187H261N29O21S
Molecular Weight3283.39 g/mol
Exact Mass3281.00
IUPAC Name(2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)C(C)(C)c3ccccc3)C21.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)Cc3ccccc3)C21.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)c3cn(C)c4ccccc34)C21.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3cccc4ccccc34)C21)C(C)(C)C.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3ccccc3-c3ccccc3)C21)C(C)(C)C.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3csc4ccccc34)C21)C(C)(C)C.C[C@H](N)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)C(c3ccccc3)c3ccccc3)C21)C(C)(C)C
InChIInChI=1S/2C30H40N4O3.C28H38N4O3.C26H36N4O3S.C25H35N5O3.C25H38N4O3.C23H34N4O3/c1-19(31-5)27(35)33-26(30(2,3)4)29(37)34-18-17-21-15-16-24(25(21)34)32-28(36)23-14-10-9-13-22(23)20-11-7-6-8-12-20;1-19(31)27(35)33-26(30(2,3)4)29(37)34-18-17-22-15-16-23(25(22)34)32-28(36)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21;1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20;1-14(2)21(28-23(31)15(3)26)25(33)30-12-11-16-9-10-19(22(16)30)27-24(32)18-13-29(4)20-8-6-5-7-17(18)20;1-15(2)20(28-22(30)16(3)26)23(31)29-14-13-17-11-12-19(21(17)29)27-24(32)25(4,5)18-9-7-6-8-10-18;1-14(2)20(26-22(29)15(3)24)23(30)27-12-11-17-9-10-18(21(17)27)25-19(28)13-16-7-5-4-6-8-16/h6-14,19,21,24-26,31H,15-18H2,1-5H3,(H,32,36)(H,33,35);5-14,19,22-26H,15-18,31H2,1-4H3,(H,32,36)(H,33,35);6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33);6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31);5-8,13-16,19,21-22H,9-12,26H2,1-4H3,(H,27,32)(H,28,31);6-10,15-17,19-21H,11-14,26H2,1-5H3,(H,27,32)(H,28,30);4-8,14-15,17-18,20-21H,9-13,24H2,1-3H3,(H,25,28)(H,26,29)/t19-,21?,24?,25?,26+;19-,22?,23?,25?,26+;17-,19?,22?,23?,24+;15-,16?,19?,21?,22+;15-,16?,19?,21-,22?;16-,17?,19?,20-,21?;15-,17?,18?,20-,21?/m0000000/s1
InChIKeyUUCFOYOXNQSHAS-HIJFSAMHSA-N
XLogP17.97
TPSA694.67 Ų
H-Bond Donors21
H-Bond Acceptors30
Rotatable Bonds46
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003283.39
LogP ≤ 517.97
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1030

Analyze (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide with MolForge

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Related Compounds

N-[(3aR,6S,6aS)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
CID 126570628
N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide
CID 59679716
(2S)-N-[1-[(3aR,6aS)-6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 163451362
(2S)-N-[(2S)-1-[(3aR,6aS)-6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 143116318
N-[1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2,2-diphenylpropanamide
CID 59679717
N-[1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzofuran-3-carboxamide
CID 71094700
(2R)-N-[(2S)-1-[(3aR,6S,6aS)-6-acetamido-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethylbutan-2-yl]-2-methylbutanamide;N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;ethane;methane
CID 167586207
N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]benzamide
CID 59679684
N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide
CID 59679698
benzyl 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-6-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
CID 123378157
N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1H-indazole-3-carboxamide
CID 59679655
N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzofuran-5-carboxamide;(2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[(1-phenyltetrazol-5-yl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 161007344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide (CID 161193964) is (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide is CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)C(C)(C)c3ccccc3)C21.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)Cc3ccccc3)C21.CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC2CCC(NC(=O)c3cn(C)c4ccccc34)C21.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3cccc4ccccc34)C21)C(C)(C)C.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3ccccc3-c3ccccc3)C21)C(C)(C)C.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)c3csc4ccccc34)C21)C(C)(C)C.C[C@H](N)C(=O)N[C@H](C(=O)N1CCC2CCC(NC(=O)C(c3ccccc3)c3ccccc3)C21)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide?
The InChIKey is UUCFOYOXNQSHAS-HIJFSAMHSA-N. The full InChI is InChI=1S/2C30H40N4O3.C28H38N4O3.C26H36N4O3S.C25H35N5O3.C25H38N4O3.C23H34N4O3/c1-19(31-5)27(35)33-26(30(2,3)4)29(37)34-18-17-21-15-16-24(25(21)34)32-28(36)23-14-10-9-13-22(23)20-11-7-6-8-12-20;1-19(31)27(35)33-26(30(2,3)4)29(37)34-18-17-22-15-16-23(25(22)34)32-28(36)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21;1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20;1-14(2)21(28-23(31)15(3)26)25(33)30-12-11-16-9-10-19(22(16)30)27-24(32)18-13-29(4)20-8-6-5-7-17(18)20;1-15(2)20(28-22(30)16(3)26)23(31)29-14-13-17-11-12-19(21(17)29)27-24(32)25(4,5)18-9-7-6-8-10-18;1-14(2)20(26-22(29)15(3)24)23(30)27-12-11-17-9-10-18(21(17)27)25-19(28)13-16-7-5-4-6-8-16/h6-14,19,21,24-26,31H,15-18H2,1-5H3,(H,32,36)(H,33,35);5-14,19,22-26H,15-18,31H2,1-4H3,(H,32,36)(H,33,35);6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33);6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31);5-8,13-16,19,21-22H,9-12,26H2,1-4H3,(H,27,32)(H,28,31);6-10,15-17,19-21H,11-14,26H2,1-5H3,(H,27,32)(H,28,30);4-8,14-15,17-18,20-21H,9-13,24H2,1-3H3,(H,25,28)(H,26,29)/t19-,21?,24?,25?,26+;19-,22?,23?,25?,26+;17-,19?,22?,23?,24+;15-,16?,19?,21?,22+;15-,16?,19?,21-,22?;16-,17?,19?,20-,21?;15-,17?,18?,20-,21?/m0000000/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide?
(2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide has a molecular weight of 3283.39 g/mol, XLogP of 17.97, 46 rotatable bonds, 21 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[6-[(2,2-diphenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide;(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[6-[(2-phenylacetyl)amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-yl]propanamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-methylindole-3-carboxamide;N-[1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-methyl-2-phenylpropanamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide;N-[1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-yl]-2-phenylbenzamide is sourced from PubChem (CID 161193964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).