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

Systemtic Name: (6R)-6-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-methyl-5-oxidanylidene-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid Openeye Name: (6R)-6-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid CAS Name: (6R)-6-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid IUPAC Name: (6R)-6-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-methyl-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid Traditional Name: (6R)-6-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-5-keto-2-methyl-6,7-dihydro-4H-1,4-thiazepine-3-carboxylic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S2/c1-10-15(18(24)25)20-16(22)13(9-26-10)19-17(23)14(27-11(2)21)8-12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t13-,14-/m0/s1