methyl 2-acetamido-4-[3-(3-acetamido-4-methoxy-4-oxidanylidene-butyl)sulfanyl-2-oxidanyl-5-oxidanylidene-2-phenyl-cyclohexyl]sulfanyl-butanoate

Systemtic Name: methyl 2-acetamido-4-[3-(3-acetamido-4-methoxy-4-oxidanylidene-butyl)sulfanyl-2-oxidanyl-5-oxidanylidene-2-phenyl-cyclohexyl]sulfanyl-butanoate Openeye Name: methyl 2-acetamido-4-[3-(3-acetamido-4-methoxy-4-oxo-butyl)sulfanyl-2-hydroxy-5-oxo-2-phenyl-cyclohexyl]sulfanyl-butanoate CAS Name: 2-acetamido-4-[[3-[(3-acetamido-4-methoxy-4-oxobutyl)thio]-2-hydroxy-5-oxo-2-phenylcyclohexyl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[3-(3-acetamido-4-methoxy-4-oxobutyl)sulfanyl-2-hydroxy-5-oxo-2-phenylcyclohexyl]sulfanylbutanoate Traditional Name: 2-acetamido-4-[[3-[(3-acetamido-4-keto-4-methoxy-butyl)thio]-2-hydroxy-5-keto-2-phenyl-cyclohexyl]thio]butyric acid methyl ester Formula: C26H36N2O8S2 MolecularWeight: 568.70264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC1CC(=O)CC(C1(C2=CC=CC=C2)O)SCCC(C(=O)OC)NC(=O)C)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCSC1CC(=O)CC(C1(C2=CC=CC=C2)O)SCCC(C(=O)OC)NC(=O)C)C(=O)OC

InChI

InChI=1S/C26H36N2O8S2/c1-16(29)27-20(24(32)35-3)10-12-37-22-14-19(31)15-23(26(22,34)18-8-6-5-7-9-18)38-13-11-21(25(33)36-4)28-17(2)30/h5-9,20-23,34H,10-15H2,1-4H3,(H,27,29)(H,28,30)