2-[2-[(6E)-3-(carboxymethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(6E)-3-(carboxymethyl)-2-oxidanyl-6-tetradecylidene-cyclohexyl]sulfanylethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]sulfanylacetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidenecyclohexyl]sulfanylacetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[(6E)-3-(carboxymethyl)-2-hydroxy-6-tetradecylidene-cyclohexyl]thio]acetyl]amino]-3-phenyl-propionic acid Formula: C33H51NO6S MolecularWeight: 589.82614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=C1CCC(C(C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/1\CCC(C(C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)O)O)CC(=O)O

InChI

InChI=1S/C33H51NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-26-20-21-27(23-30(36)37)31(38)32(26)41-24-29(35)34-28(33(39)40)22-25-17-14-13-15-18-25/h13-15,17-19,27-28,31-32,38H,2-12,16,20-24H2,1H3,(H,34,35)(H,36,37)(H,39,40)/b26-19+