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

Systemtic Name: 3-[[1-[3-(2-dimethylaminoethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(2-dimethylaminoethylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[(2-dimethylaminoethylamino)-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(2-dimethylaminoethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(2-dimethylaminoethylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C24H30N6O5 MolecularWeight: 482.5322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O5/c1-29(2)10-9-26-24(35)27-18-6-3-7-19(12-18)30-15-17(11-21(30)31)23(34)28-20(13-22(32)33)16-5-4-8-25-14-16/h3-8,12,14,17,20H,9-11,13,15H2,1-2H3,(H,28,34)(H,32,33)(H2,26,27,35)