4-[(21-ethoxy-19-ethoxycarbonyl-21-oxidanylidene-henicosyl)amino]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxidanylidene-henicosyl)amino]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxo-henicosyl)amino]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxoheneicosyl)amino]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[(21-ethoxy-19-ethoxycarbonyl-21-oxohenicosyl)amino]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[(19-carbethoxy-21-ethoxy-21-keto-heneicosyl)amino]-4-keto-2-sulfo-butyric acid Formula: C30H55NO10S MolecularWeight: 621.8234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC(CCCCCCCCCCCCCCCCCCNC(=O)CC(C(=O)O)S(=O)(=O)O)C(=O)OCC

InChI

InChI=1S/C30H55NO10S/c1-3-40-28(33)23-25(30(36)41-4-2)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-31-27(32)24-26(29(34)35)42(37,38)39/h25-26H,3-24H2,1-2H3,(H,31,32)(H,34,35)(H,37,38,39)