(3S)-4-azanyl-3-[[1-(2-azanylethanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-azanyl-3-[[1-(2-azanylethanoyl)-4-phenyl-piperidin-4-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-amino-3-[[1-(2-aminoacetyl)-4-phenyl-piperidine-4-carbonyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-amino-3-[[[1-(2-amino-1-oxoethyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-amino-3-[[1-(2-aminoacetyl)-4-phenylpiperidine-4-carbonyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-amino-3-[(1-glycyl-4-phenyl-isonipecotoyl)amino]-4-keto-butyric acid Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)N)C(=O)CN

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N)C(=O)CN

InChI

InChI=1S/C18H24N4O5/c19-11-14(23)22-8-6-18(7-9-22,12-4-2-1-3-5-12)17(27)21-13(16(20)26)10-15(24)25/h1-5,13H,6-11,19H2,(H2,20,26)(H,21,27)(H,24,25)/t13-/m0/s1