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

Systemtic Name: 4-(2-azanylethanoylamino)-N-[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide trihydrochloride Openeye Name: 4-[(2-aminoacetyl)amino]-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide trihydrochloride CAS Name: 4-[(2-amino-1-oxoethyl)amino]-N-[1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-pyrrolidinecarboxamide trihydrochloride IUPAC Name: 4-[(2-aminoacetyl)amino]-N-[1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]pyrrolidine-2-carboxamide trihydrochloride Traditional Name: 4-(glycylamino)-N-[3-phenyl-1-(3-quinolylcarbamoyl)propyl]pyrrolidine-2-carboxamide trihydrochloride Formula: C26H33Cl3N6O3 MolecularWeight: 583.93762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)CN.Cl.Cl.Cl

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)CN.Cl.Cl.Cl

InChI

InChI=1S/C26H30N6O3.3ClH/c27-14-24(33)30-20-13-23(29-16-20)26(35)32-22(11-10-17-6-2-1-3-7-17)25(34)31-19-12-18-8-4-5-9-21(18)28-15-19;;;/h1-9,12,15,20,22-23,29H,10-11,13-14,16,27H2,(H,30,33)(H,31,34)(H,32,35);3*1H