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

Systemtic Name: 2-[(6S)-2-methyl-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-1,2-diazepan-1-yl]ethanoic acid Openeye Name: 2-[(6S)-2-methyl-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]-2-methyl-7-oxo-1-diazepanyl]acetic acid IUPAC Name: 2-[(6S)-2-methyl-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]-2-methyl-diazepan-1-yl]acetic acid Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CN1CCC[C@@H](C(=O)N1CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C17H23N3O4S/c1-19-9-5-8-13(17(24)20(19)11-15(21)22)18-16(23)14(25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14,25H,5,8-11H2,1H3,(H,18,23)(H,21,22)/t13-,14-/m0/s1