(E,4S,5S)-5-[2-azanyl-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid

Systemtic Name: (E,4S,5S)-5-[2-azanyl-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-nonadec-6-enoic acid Openeye Name: (E,4S,5S)-5-[2-amino-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-4-hydroxy-nonadec-6-enoic acid CAS Name: (E,4S,5S)-5-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]thio]-4-hydroxy-6-nonadecenoic acid IUPAC Name: (E,4S,5S)-5-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-4-hydroxynonadec-6-enoic acid Traditional Name: (E,4S,5S)-5-[[2-amino-3-(carboxymethylamino)-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)NCC(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC/C=C/[C@@H]([C@H](CCC(=O)O)O)SCC(C(=O)NCC(=O)O)N

InChI

InChI=1S/C24H44N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(20(27)15-16-22(28)29)33-18-19(25)24(32)26-17-23(30)31/h13-14,19-21,27H,2-12,15-18,25H2,1H3,(H,26,32)(H,28,29)(H,30,31)/b14-13+/t19?,20-,21-/m0/s1