(2S)-N-[(6-azanylpyridin-3-yl)methyl]-1-[(2R)-3-(3,4-dichlorophenyl)-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(6-azanylpyridin-3-yl)methyl]-1-[(2R)-3-(3,4-dichlorophenyl)-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(6-amino-3-pyridyl)methyl]-1-[(2R)-2-(benzylsulfonylamino)-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(6-amino-3-pyridinyl)methyl]-1-[(2R)-3-(3,4-dichlorophenyl)-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(6-aminopyridin-3-yl)methyl]-1-[(2R)-2-(benzylsulfonylamino)-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(6-amino-3-pyridyl)methyl]-1-[(2R)-2-(benzylsulfonylamino)-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide Formula: C27H29Cl2N5O4S MolecularWeight: 590.52126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC(=C(C=C2)Cl)Cl)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CN=C(C=C4)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC(=C(C=C2)Cl)Cl)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CN=C(C=C4)N

InChI

InChI=1S/C27H29Cl2N5O4S/c28-21-10-8-19(13-22(21)29)14-23(33-39(37,38)17-18-5-2-1-3-6-18)27(36)34-12-4-7-24(34)26(35)32-16-20-9-11-25(30)31-15-20/h1-3,5-6,8-11,13,15,23-24,33H,4,7,12,14,16-17H2,(H2,30,31)(H,32,35)/t23-,24+/m1/s1