2-[(6S)-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-1,2-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[(6S)-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-1,2-diazepan-1-yl]ethanoic acid Openeye Name: 2-[(6S)-7-oxo-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]diazepan-1-yl]acetic acid CAS Name: 2-[(6S)-6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-7-oxo-1-diazepanyl]acetic acid IUPAC Name: 2-[(6S)-7-oxo-6-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]diazepan-1-yl]acetic acid Traditional Name: 2-[(6S)-7-keto-6-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]diazepan-1-yl]acetic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(NC1)CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

C1C[C@@H](C(=O)N(NC1)CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C16H21N3O4S/c20-14(21)10-19-16(23)12(7-4-8-17-19)18-15(22)13(24)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,17,24H,4,7-10H2,(H,18,22)(H,20,21)/t12-,13-/m0/s1