(6R)-2-methyl-5-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid

Systemtic Name: (6R)-2-methyl-5-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid Openeye Name: (6R)-2-methyl-5-oxo-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid CAS Name: (6R)-6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid IUPAC Name: (6R)-2-methyl-5-oxo-6-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid Traditional Name: (6R)-5-keto-6-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-2-methyl-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(CS1)NC(=O)C(CC2=CC=CC=C2)S)C(=O)O

Isomeric SMILES

CC1=C(NC(=O)[C@H](CS1)NC(=O)[C@H](CC2=CC=CC=C2)S)C(=O)O

InChI

InChI=1S/C16H18N2O4S2/c1-9-13(16(21)22)18-14(19)11(8-24-9)17-15(20)12(23)7-10-5-3-2-4-6-10/h2-6,11-12,23H,7-8H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t11-,12-/m0/s1