(3S)-4-azanyl-4-oxidanylidene-3-[(4-phenylpiperidin-4-yl)carbonylamino]butanoic acid

Systemtic Name: (3S)-4-azanyl-4-oxidanylidene-3-[(4-phenylpiperidin-4-yl)carbonylamino]butanoic acid Openeye Name: (3S)-4-amino-4-oxo-3-[(4-phenylpiperidine-4-carbonyl)amino]butanoic acid CAS Name: (3S)-4-amino-4-oxo-3-[[oxo-(4-phenyl-4-piperidinyl)methyl]amino]butanoic acid IUPAC Name: (3S)-4-amino-4-oxo-3-[(4-phenylpiperidine-4-carbonyl)amino]butanoic acid Traditional Name: (3S)-4-amino-4-keto-3-[(4-phenylisonipecotoyl)amino]butyric acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)N

Isomeric SMILES

C1CNCCC1(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N

InChI

InChI=1S/C16H21N3O4/c17-14(22)12(10-13(20)21)19-15(23)16(6-8-18-9-7-16)11-4-2-1-3-5-11/h1-5,12,18H,6-10H2,(H2,17,22)(H,19,23)(H,20,21)/t12-/m0/s1