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

Systemtic Name: (E)-5-[2-azanyl-3-[carboxy(methyl)amino]-3-oxidanylidene-propyl]sulfanyl-4-oxidanyl-henicos-6-enoic acid Openeye Name: (E)-5-[2-amino-3-[carboxy(methyl)amino]-3-oxo-propyl]sulfanyl-4-hydroxy-henicos-6-enoic acid CAS Name: (E)-5-[[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]thio]-4-hydroxy-6-heneicosenoic acid IUPAC Name: (E)-5-[2-amino-3-[carboxy(methyl)amino]-3-oxopropyl]sulfanyl-4-hydroxyhenicos-6-enoic acid Traditional Name: (E)-5-[[2-amino-3-[carboxy(methyl)amino]-3-keto-propyl]thio]-4-hydroxy-heneicos-6-enoic acid Formula: C26H48N2O6S MolecularWeight: 516.73412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(22(29)18-19-24(30)31)35-20-21(27)25(32)28(2)26(33)34/h16-17,21-23,29H,3-15,18-20,27H2,1-2H3,(H,30,31)(H,33,34)/b17-16+