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

Systemtic Name: (E)-4-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyloctadec-5-enoic acid Openeye Name: (E)-4-[2-amino-3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanyloctadec-5-enoic acid CAS Name: (E)-4-[[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]thio]-5-octadecenoic acid IUPAC Name: (E)-4-[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]sulfanyloctadec-5-enoic acid Traditional Name: (E)-4-[[2-amino-3-[carboxy(methyl)amino]-3-keto-propyl]thio]octadec-5-enoic acid Formula: C23H42N2O5S MolecularWeight: 458.65498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16-17-21(26)27)31-18-20(24)22(28)25(2)23(29)30/h14-15,19-20H,3-13,16-18,24H2,1-2H3,(H,26,27)(H,29,30)/b15-14+