3-[[5-oxidanylidene-1-[3-[(2-oxidanylidene-2-phenylazanyl-ethyl)amino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[3-[(2-oxidanylidene-2-phenylazanyl-ethyl)amino]phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-[(2-anilino-2-oxo-ethyl)amino]phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[(2-anilino-2-oxoethyl)amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-[(2-anilino-2-oxoethyl)amino]phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-[(2-anilino-2-keto-ethyl)amino]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=C2)NCC(=O)NC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)NCC(=O)NC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C27H27N5O5/c33-24(30-20-7-2-1-3-8-20)16-29-21-9-4-10-22(13-21)32-17-19(12-25(32)34)27(37)31-23(14-26(35)36)18-6-5-11-28-15-18/h1-11,13,15,19,23,29H,12,14,16-17H2,(H,30,33)(H,31,37)(H,35,36)