(E)-5-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E)-5-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E)-5-[2-amino-3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E)-5-[[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E)-5-[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (E)-5-[[2-amino-3-[carboxy(methyl)amino]-3-keto-propyl]thio]-4-hydroxy-nonadec-6-enoic acid Formula: C24H44N2O6S MolecularWeight: 488.68096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H44N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(20(27)16-17-22(28)29)33-18-19(25)23(30)26(2)24(31)32/h14-15,19-21,27H,3-13,16-18,25H2,1-2H3,(H,28,29)(H,31,32)/b15-14+