3-[[5-oxidanylidene-1-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(isopropylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[3-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(isopropylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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