3-[[3-oxidanylidene-4-[6-[(phenylmethyl)carbamoylamino]-2,3-dihydroindol-1-yl]butanoyl]amino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[[3-oxidanylidene-4-[6-[(phenylmethyl)carbamoylamino]-2,3-dihydroindol-1-yl]butanoyl]amino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[4-[6-(benzylcarbamoylamino)indolin-1-yl]-3-oxo-butanoyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[1,3-dioxo-4-[6-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3-dihydroindol-1-yl]butyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[4-[6-(benzylcarbamoylamino)-2,3-dihydroindol-1-yl]-3-oxobutanoyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[4-[6-(benzylcarbamoylamino)indolin-1-yl]-3-keto-butanoyl]amino]-3-(3-quinolyl)propionic acid Formula: C32H31N5O5 MolecularWeight: 565.61904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CC(=O)CC(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)NC(=O)NCC3=CC=CC=C3)CC(=O)CC(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C32H31N5O5/c38-26(16-30(39)36-28(17-31(40)41)24-14-23-8-4-5-9-27(23)33-19-24)20-37-13-12-22-10-11-25(15-29(22)37)35-32(42)34-18-21-6-2-1-3-7-21/h1-11,14-15,19,28H,12-13,16-18,20H2,(H,36,39)(H,40,41)(H2,34,35,42)