4-(2-azanylethanoylamino)-N-methyl-N-[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylethanoylamino)-N-methyl-N-[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-[(2-aminoacetyl)amino]-N-methyl-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxoethyl)amino]-N-methyl-N-[1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-[(2-aminoacetyl)amino]-N-methyl-N-[1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(glycylamino)-N-methyl-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2)C(=O)C4CC(CN4)NC(=O)CN

Isomeric SMILES

CN(C(CCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3N=C2)C(=O)C4CC(CN4)NC(=O)CN

InChI

InChI=1S/C27H32N6O3/c1-33(27(36)23-14-21(17-30-23)31-25(34)15-28)24(12-11-18-7-3-2-4-8-18)26(35)32-20-13-19-9-5-6-10-22(19)29-16-20/h2-10,13,16,21,23-24,30H,11-12,14-15,17,28H2,1H3,(H,31,34)(H,32,35)