[5-[3-azanyl-3-oxidanylidene-2-(3-phenylpropanoylamino)propyl]-1H-imidazol-2-yl] 4-azanylpiperidine-1-carboxylate

Systemtic Name: [5-[3-azanyl-3-oxidanylidene-2-(3-phenylpropanoylamino)propyl]-1H-imidazol-2-yl] 4-azanylpiperidine-1-carboxylate Openeye Name: [5-[3-amino-3-oxo-2-(3-phenylpropanoylamino)propyl]-1H-imidazol-2-yl] 4-aminopiperidine-1-carboxylate CAS Name: 4-amino-1-piperidinecarboxylic acid [5-[3-amino-3-oxo-2-[(1-oxo-3-phenylpropyl)amino]propyl]-1H-imidazol-2-yl] ester IUPAC Name: [5-[3-amino-3-oxo-2-(3-phenylpropanoylamino)propyl]-1H-imidazol-2-yl] 4-aminopiperidine-1-carboxylate Traditional Name: 4-aminopiperidine-1-carboxylic acid [5-[3-amino-2-(hydrocinnamoylamino)-3-keto-propyl]-1H-imidazol-2-yl] ester Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C(=O)OC2=NC=C(N2)CC(C(=O)N)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1N)C(=O)OC2=NC=C(N2)CC(C(=O)N)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N6O4/c22-15-8-10-27(11-9-15)21(30)31-20-24-13-16(25-20)12-17(19(23)29)26-18(28)7-6-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12,22H2,(H2,23,29)(H,24,25)(H,26,28)