4-(2-azanylethanoyl)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]piperazine-2-carboxamide

Systemtic Name: 4-(2-azanylethanoyl)-N-[(2R)-1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]piperazine-2-carboxamide Openeye Name: 4-(2-aminoacetyl)-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]piperazine-2-carboxamide CAS Name: 4-(2-amino-1-oxoethyl)-N-[(2R)-1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]-2-piperazinecarboxamide IUPAC Name: 4-(2-aminoacetyl)-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]piperazine-2-carboxamide Traditional Name: 4-glycyl-N-[(1R)-3-phenyl-1-(3-quinolylcarbamoyl)propyl]piperazine-2-carboxamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)NC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)C(=O)CN

Isomeric SMILES

C1CN(CC(N1)C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)C(=O)CN

InChI

InChI=1S/C26H30N6O3/c27-15-24(33)32-13-12-28-23(17-32)26(35)31-22(11-10-18-6-2-1-3-7-18)25(34)30-20-14-19-8-4-5-9-21(19)29-16-20/h1-9,14,16,22-23,28H,10-13,15,17,27H2,(H,30,34)(H,31,35)/t22-,23?/m1/s1