(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-N-[(4-sulfamoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-(4-sulfamoylbenzyl)pyrrolidine-2-carboxamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H26N4O4S/c22-18(13-15-5-2-1-3-6-15)21(27)25-12-4-7-19(25)20(26)24-14-16-8-10-17(11-9-16)30(23,28)29/h1-3,5-6,8-11,18-19H,4,7,12-14,22H2,(H,24,26)(H2,23,28,29)/t18-,19+/m1/s1