2-[(5S)-4-oxidanylidene-5-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-1,3-thiazepan-3-yl]ethanoic acid

Systemtic Name: 2-[(5S)-4-oxidanylidene-5-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-1,3-thiazepan-3-yl]ethanoic acid Openeye Name: 2-[(5S)-4-oxo-5-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-1,3-thiazepan-3-yl]acetic acid CAS Name: 2-[(5S)-5-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-4-oxo-1,3-thiazepan-3-yl]acetic acid IUPAC Name: 2-[(5S)-4-oxo-5-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-1,3-thiazepan-3-yl]acetic acid Traditional Name: 2-[(5S)-4-keto-5-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-1,3-thiazepan-3-yl]acetic acid Formula: C16H20N2O4S2 MolecularWeight: 368.471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCN(C(=O)C1NC(=O)C(CC2=CC=CC=C2)S)CC(=O)O

Isomeric SMILES

C1CSCN(C(=O)[C@H]1NC(=O)[C@H](CC2=CC=CC=C2)S)CC(=O)O

InChI

InChI=1S/C16H20N2O4S2/c19-14(20)9-18-10-24-7-6-12(16(18)22)17-15(21)13(23)8-11-4-2-1-3-5-11/h1-5,12-13,23H,6-10H2,(H,17,21)(H,19,20)/t12-,13-/m0/s1