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

Systemtic Name: 3-[[5-oxidanylidene-1-[3-[(phenylmethyl)carbamoylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-thiophen-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-thienyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-thiophenyl)propanoic acid IUPAC Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-thiophen-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(benzylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-thienyl)propionic acid Formula: C26H26N4O5S MolecularWeight: 506.57344

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O5S/c31-23-11-19(25(34)29-22(13-24(32)33)18-9-10-36-16-18)15-30(23)21-8-4-7-20(12-21)28-26(35)27-14-17-5-2-1-3-6-17/h1-10,12,16,19,22H,11,13-15H2,(H,29,34)(H,32,33)(H2,27,28,35)