2-[methyl-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]-3-[4-(naphthalen-2-ylcarbonylamino)phenyl]-2-pyrimidin-5-yl-propanoic acid

Systemtic Name: 2-[methyl-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]-3-[4-(naphthalen-2-ylcarbonylamino)phenyl]-2-pyrimidin-5-yl-propanoic acid Openeye Name: 2-[methyl-(2-oxo-2-pyrrolidin-1-yl-ethyl)amino]-3-[4-(naphthalene-2-carbonylamino)phenyl]-2-pyrimidin-5-yl-propanoic acid CAS Name: 2-[methyl-[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]-3-[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]-2-(5-pyrimidinyl)propanoic acid IUPAC Name: 2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-3-[4-(naphthalene-2-carbonylamino)phenyl]-2-pyrimidin-5-ylpropanoic acid Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)-methyl-amino]-3-[4-(2-naphthoylamino)phenyl]-2-(5-pyrimidyl)propionic acid Formula: C31H31N5O4 MolecularWeight: 537.60894

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCC1)C(CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)(C5=CN=CN=C5)C(=O)O

Isomeric SMILES

CN(CC(=O)N1CCCC1)C(CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)(C5=CN=CN=C5)C(=O)O

InChI

InChI=1S/C31H31N5O4/c1-35(20-28(37)36-14-4-5-15-36)31(30(39)40,26-18-32-21-33-19-26)17-22-8-12-27(13-9-22)34-29(38)25-11-10-23-6-2-3-7-24(23)16-25/h2-3,6-13,16,18-19,21H,4-5,14-15,17,20H2,1H3,(H,34,38)(H,39,40)