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

Systemtic Name: (E)-2-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanylhexadec-3-enoic acid Openeye Name: (E)-2-[2-amino-3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanylhexadec-3-enoic acid CAS Name: (E)-2-[[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]thio]-3-hexadecenoic acid IUPAC Name: (E)-2-[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]sulfanylhexadec-3-enoic acid Traditional Name: (E)-2-[[2-amino-3-[carboxy(methyl)amino]-3-keto-propyl]thio]hexadec-3-enoic acid Formula: C21H38N2O5S MolecularWeight: 430.60182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20(25)26)29-16-17(22)19(24)23(2)21(27)28/h14-15,17-18H,3-13,16,22H2,1-2H3,(H,25,26)(H,27,28)/b15-14+