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

Systemtic Name: 3-[[5-oxidanylidene-1-[3-(phenethylcarbamoylamino)phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[3-(phenethylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[[oxo-(phenethylamino)methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-(phenethylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-(phenethylcarbamoylamino)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:

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C28H29N5O5/c34-25-14-21(27(37)32-24(16-26(35)36)20-8-5-12-29-17-20)18-33(25)23-10-4-9-22(15-23)31-28(38)30-13-11-19-6-2-1-3-7-19/h1-10,12,15,17,21,24H,11,13-14,16,18H2,(H,32,37)(H,35,36)(H2,30,31,38)