(E)-4-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-3-oxidanyl-octadec-5-enoic acid

Systemtic Name: (E)-4-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-3-oxidanyl-octadec-5-enoic acid Openeye Name: (E)-4-[2-amino-3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanyl-3-hydroxy-octadec-5-enoic acid CAS Name: (E)-4-[[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]thio]-3-hydroxy-5-octadecenoic acid IUPAC Name: (E)-4-[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]sulfanyl-3-hydroxyoctadec-5-enoic acid Traditional Name: (E)-4-[[2-amino-3-[carboxy(methyl)amino]-3-keto-propyl]thio]-3-hydroxy-octadec-5-enoic acid Formula: C23H42N2O6S MolecularWeight: 474.65438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CC(=O)O)O)SCC(C(=O)N(C)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CC(=O)O)O)SCC(C(=O)N(C)C(=O)O)N

InChI

InChI=1S/C23H42N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(19(26)16-21(27)28)32-17-18(24)22(29)25(2)23(30)31/h14-15,18-20,26H,3-13,16-17,24H2,1-2H3,(H,27,28)(H,30,31)/b15-14+