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

Systemtic Name: 3-[[5-oxidanylidene-1-[3-(propylcarbamoylamino)phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[3-(propylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[[oxo(propylamino)methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-(propylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-(propylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CCCNC(=O)NC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C23H27N5O5/c1-2-8-25-23(33)26-17-6-3-7-18(11-17)28-14-16(10-20(28)29)22(32)27-19(12-21(30)31)15-5-4-9-24-13-15/h3-7,9,11,13,16,19H,2,8,10,12,14H2,1H3,(H,27,32)(H,30,31)(H2,25,26,33)