2-[(3S)-2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-2-oxidanylidene-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S)-2-oxo-3-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[(3S)-2-oxo-3-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid Traditional Name: 2-[(3S)-2-keto-3-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]azepan-1-yl]acetic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C(CC2=CC=CC=C2)S)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=O)[C@H](CC2=CC=CC=C2)S)CC(=O)O

InChI

InChI=1S/C17H22N2O4S/c20-15(21)11-19-9-5-4-8-13(17(19)23)18-16(22)14(24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,24H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-/m0/s1