3-[[5-oxidanylidene-1-[3-[(phenylmethyl)carbamoylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[3-[(phenylmethyl)carbamoylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-quinolyl)propionic acid Formula: C31H29N5O5 MolecularWeight: 551.59246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C31H29N5O5/c37-28-14-23(30(40)35-27(16-29(38)39)22-13-21-9-4-5-12-26(21)32-18-22)19-36(28)25-11-6-10-24(15-25)34-31(41)33-17-20-7-2-1-3-8-20/h1-13,15,18,23,27H,14,16-17,19H2,(H,35,40)(H,38,39)(H2,33,34,41)