3-[[1-[4-methyl-3-[(phenylmethyl)carbamoylamino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-[4-methyl-3-[(phenylmethyl)carbamoylamino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(benzylcarbamoylamino)-4-methyl-phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[4-methyl-3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(benzylcarbamoylamino)-4-methylphenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(benzylcarbamoylamino)-4-methyl-phenyl]-5-keto-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=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NCC4=CC=CC=C4

InChI

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