3-[[1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[[(4-methoxyphenyl)methylamino]-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-(p-anisylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C28H29N5O6/c1-39-23-9-7-18(8-10-23)15-30-28(38)31-21-5-2-6-22(13-21)33-17-20(12-25(33)34)27(37)32-24(14-26(35)36)19-4-3-11-29-16-19/h2-11,13,16,20,24H,12,14-15,17H2,1H3,(H,32,37)(H,35,36)(H2,30,31,38)