(E)-5-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanylnonadec-6-enoic acid

Systemtic Name: (E)-5-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanylnonadec-6-enoic acid Openeye Name: (E)-5-[2-amino-3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanylnonadec-6-enoic acid CAS Name: (E)-5-[[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]thio]-6-nonadecenoic acid IUPAC Name: (E)-5-[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]sulfanylnonadec-6-enoic acid Traditional Name: (E)-5-[[2-amino-3-[carboxy(methyl)amino]-3-keto-propyl]thio]nonadec-6-enoic acid Formula: C24H44N2O5S MolecularWeight: 472.68156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H44N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-20(17-15-18-22(27)28)32-19-21(25)23(29)26(2)24(30)31/h14,16,20-21H,3-13,15,17-19,25H2,1-2H3,(H,27,28)(H,30,31)/b16-14+