(E)-5-[3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-henicos-6-enoic acid

Systemtic Name: (E)-5-[3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-henicos-6-enoic acid Openeye Name: (E)-5-[3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanyl-4-hydroxy-henicos-6-enoic acid CAS Name: (E)-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]thio]-4-hydroxy-6-heneicosenoic acid IUPAC Name: (E)-5-[3-[carboxy(methyl)amino]-3-oxopropyl]sulfanyl-4-hydroxyhenicos-6-enoic acid Traditional Name: (E)-5-[[3-[carboxy(methyl)amino]-3-keto-propyl]thio]-4-hydroxy-heneicos-6-enoic acid Formula: C26H47NO6S MolecularWeight: 501.71948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC=CC(C(CCC(=O)O)O)SCCC(=O)N(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC/C=C/C(C(CCC(=O)O)O)SCCC(=O)N(C)C(=O)O

InChI

InChI=1S/C26H47NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(22(28)18-19-25(30)31)34-21-20-24(29)27(2)26(32)33/h16-17,22-23,28H,3-15,18-21H2,1-2H3,(H,30,31)(H,32,33)/b17-16+