(3R)-5-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-7-methyl-7-(4-methylpent-3-enyl)-1,4-thiazepane-3-carboxylic acid

Systemtic Name: (3R)-5-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-7-methyl-7-(4-methylpent-3-enyl)-1,4-thiazepane-3-carboxylic acid Openeye Name: (3R)-5-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-7-methyl-7-(4-methylpent-3-enyl)-1,4-thiazepane-3-carboxylic acid CAS Name: (3R)-5-[[(2R)-2-amino-3-hydroxy-3-oxopropyl]thio]-7-methyl-7-(4-methylpent-3-enyl)-1,4-thiazepane-3-carboxylic acid IUPAC Name: (3R)-5-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-7-methyl-7-(4-methylpent-3-enyl)-1,4-thiazepane-3-carboxylic acid Traditional Name: (3R)-5-[[(2R)-2-amino-3-hydroxy-3-keto-propyl]thio]-7-methyl-7-(4-methylpent-3-enyl)-1,4-thiazepane-3-carboxylic acid Formula: C16H28N2O4S2 MolecularWeight: 376.53452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1(CC(NC(CS1)C(=O)O)SCC(C(=O)O)N)C)C

Isomeric SMILES

CC(=CCCC1(CC(N[C@@H](CS1)C(=O)O)SC[C@@H](C(=O)O)N)C)C

InChI

InChI=1S/C16H28N2O4S2/c1-10(2)5-4-6-16(3)7-13(23-8-11(17)14(19)20)18-12(9-24-16)15(21)22/h5,11-13,18H,4,6-9,17H2,1-3H3,(H,19,20)(H,21,22)/t11-,12-,13?,16?/m0/s1