(2S)-2-[[(4S)-2-oxidanylidene-1,3-diazepan-4-yl]carbonylamino]-4-phenyl-butanoic acid

Systemtic Name: (2S)-2-[[(4S)-2-oxidanylidene-1,3-diazepan-4-yl]carbonylamino]-4-phenyl-butanoic acid Openeye Name: (2S)-2-[[(4S)-2-oxo-1,3-diazepane-4-carbonyl]amino]-4-phenyl-butanoic acid CAS Name: (2S)-2-[[oxo-[(4S)-2-oxo-1,3-diazepan-4-yl]methyl]amino]-4-phenylbutanoic acid IUPAC Name: (2S)-2-[[(4S)-2-oxo-1,3-diazepane-4-carbonyl]amino]-4-phenylbutanoic acid Traditional Name: (2S)-2-[[(4S)-2-keto-1,3-diazepane-4-carbonyl]amino]-4-phenyl-butyric acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC(=O)NC1)C(=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C[C@H](NC(=O)NC1)C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H21N3O4/c20-14(12-7-4-10-17-16(23)19-12)18-13(15(21)22)9-8-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,18,20)(H,21,22)(H2,17,19,23)/t12-,13-/m0/s1