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

Systemtic Name: 3-[[1-[3-[(2-methylphenyl)methylcarbamoylamino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(o-tolylmethylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[[(2-methylphenyl)methylamino]-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-[(2-methylphenyl)methylcarbamoylamino]phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-[(2-methylbenzyl)carbamoylamino]phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H29N5O5 MolecularWeight: 515.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C28H29N5O5/c1-18-6-2-3-7-19(18)16-30-28(38)31-22-9-4-10-23(13-22)33-17-21(12-25(33)34)27(37)32-24(14-26(35)36)20-8-5-11-29-15-20/h2-11,13,15,21,24H,12,14,16-17H2,1H3,(H,32,37)(H,35,36)(H2,30,31,38)