3-[[5-oxidanylidene-1-[2-[(phenylmethyl)carbamoylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[2-[(phenylmethyl)carbamoylamino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[2-(benzylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[2-(benzylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[2-(benzylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC=C2NC(=O)NCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC=C2NC(=O)NCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C27H27N5O5/c33-24-13-20(26(36)30-22(14-25(34)35)19-9-6-12-28-16-19)17-32(24)23-11-5-4-10-21(23)31-27(37)29-15-18-7-2-1-3-8-18/h1-12,16,20,22H,13-15,17H2,(H,30,36)(H,34,35)(H2,29,31,37)