1-[1-[[4-azanyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[[4-azanyl-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[[4-amino-4-oxo-2-(p-tolylsulfonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[4-amino-2-[(4-methylphenyl)sulfonylamino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[[4-amino-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[[4-amino-4-keto-2-(tosylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C26H34N4O7S MolecularWeight: 546.63576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)NC(C(CCC2=CC=CC=C2)O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)N)C(=O)NC(C(CCC2=CC=CC=C2)O)N3CCCC3C(=O)O

InChI

InChI=1S/C26H34N4O7S/c1-17-9-12-19(13-10-17)38(36,37)29-20(16-23(27)32)25(33)28-24(30-15-5-8-21(30)26(34)35)22(31)14-11-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20-22,24,29,31H,5,8,11,14-16H2,1H3,(H2,27,32)(H,28,33)(H,34,35)