1-[1-[[4-azanyl-2-(1H-indol-2-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-[[4-azanyl-2-(1H-indol-2-ylcarbonylamino)-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[[4-amino-2-(1H-indole-2-carbonylamino)-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-[[4-amino-2-[[1H-indol-2-yl(oxo)methyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[[4-amino-2-(1H-indole-2-carbonylamino)-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[[4-amino-2-(1H-indole-2-carbonylamino)-4-keto-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]proline Formula: C28H33N5O6 MolecularWeight: 535.59152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C(CCC2=CC=CC=C2)O)NC(=O)C(CC(=O)N)NC(=O)C3=CC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C28H33N5O6/c29-24(35)16-21(31-26(36)20-15-18-9-4-5-10-19(18)30-20)27(37)32-25(33-14-6-11-22(33)28(38)39)23(34)13-12-17-7-2-1-3-8-17/h1-5,7-10,15,21-23,25,30,34H,6,11-14,16H2,(H2,29,35)(H,31,36)(H,32,37)(H,38,39)