4-oxidanyl-2-[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-oxidanyl-2-[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]ethyl]-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-2-oxo-ethyl]-4-hydroxy-1-[(E)-16-thioxohexadec-2-enyl]cyclohexanecarboxylic acid CAS Name: 4-hydroxy-2-[2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-1-[(E)-16-sulfanylidenehexadec-2-enyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-hydroxy-2-[2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-1-[(E)-16-sulfanylidenehexadec-2-enyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-2-keto-ethyl]-4-hydroxy-1-[(E)-16-thioxohexadec-2-enyl]cyclohexanecarboxylic acid Formula: C34H51NO6S MolecularWeight: 601.83684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1O)CC(=O)NC(CC2=CC=CC=C2)C(=O)O)(CC=CCCCCCCCCCCCCC=S)C(=O)O

Isomeric SMILES

C1CC(C(CC1O)CC(=O)NC(CC2=CC=CC=C2)C(=O)O)(C/C=C/CCCCCCCCCCCCC=S)C(=O)O

InChI

InChI=1S/C34H51NO6S/c36-29-20-22-34(33(40)41,21-16-11-9-7-5-3-1-2-4-6-8-10-12-17-23-42)28(25-29)26-31(37)35-30(32(38)39)24-27-18-14-13-15-19-27/h11,13-16,18-19,23,28-30,36H,1-10,12,17,20-22,24-26H2,(H,35,37)(H,38,39)(H,40,41)/b16-11+