7,11-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]-2-[4-methyl-3-(methylamino)-2-oxidanylidene-hexyl]-2,4,7-tris(oxidanyl)-3,6,8-tris(oxidanylidene)dodecanoic acid

Systemtic Name: 7,11-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]-2-[4-methyl-3-(methylamino)-2-oxidanylidene-hexyl]-2,4,7-tris(oxidanyl)-3,6,8-tris(oxidanylidene)dodecanoic acid Openeye Name: 2,4,7-trihydroxy-7,11-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]-2-[4-methyl-3-(methylamino)-2-oxo-hexyl]-3,6,8-trioxo-dodecanoic acid CAS Name: 2,4,7-trihydroxy-7,11-dimethyl-9-(methylamino)-4-[2-(methylamino)-1-oxopropyl]-2-[4-methyl-3-(methylamino)-2-oxohexyl]-3,6,8-trioxododecanoic acid IUPAC Name: 2,4,7-trihydroxy-7,11-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]-2-[4-methyl-3-(methylamino)-2-oxohexyl]-3,6,8-trioxododecanoic acid Traditional Name: 2,4,7-trihydroxy-3,6,8-triketo-2-[2-keto-4-methyl-3-(methylamino)hexyl]-7,11-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]lauric acid Formula: C27H47N3O10 MolecularWeight: 573.67618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)CC(C(=O)C(CC(=O)C(C)(C(=O)C(CC(C)C)NC)O)(C(=O)C(C)NC)O)(C(=O)O)O)NC

Isomeric SMILES

CCC(C)C(C(=O)CC(C(=O)C(CC(=O)C(C)(C(=O)C(CC(C)C)NC)O)(C(=O)C(C)NC)O)(C(=O)O)O)NC

InChI

InChI=1S/C27H47N3O10/c1-10-15(4)20(30-9)18(31)12-27(40,24(36)37)23(35)26(39,21(33)16(5)28-7)13-19(32)25(6,38)22(34)17(29-8)11-14(2)3/h14-17,20,28-30,38-40H,10-13H2,1-9H3,(H,36,37)