7,10-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)undecanoic acid

Systemtic Name: 7,10-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)undecanoic acid Openeye Name: 2,4,7-trihydroxy-7,10-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]-2-[4-methyl-3-(methylamino)-2-oxo-hexyl]-3,6,8-trioxo-undecanoic acid CAS Name: 2,4,7-trihydroxy-7,10-dimethyl-9-(methylamino)-4-[2-(methylamino)-1-oxopropyl]-2-[4-methyl-3-(methylamino)-2-oxohexyl]-3,6,8-trioxoundecanoic acid IUPAC Name: 2,4,7-trihydroxy-7,10-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]-2-[4-methyl-3-(methylamino)-2-oxohexyl]-3,6,8-trioxoundecanoic acid Traditional Name: 2,4,7-trihydroxy-3,6,8-triketo-2-[2-keto-4-methyl-3-(methylamino)hexyl]-7,10-dimethyl-9-(methylamino)-4-[2-(methylamino)propanoyl]undecanoic acid Formula: C26H45N3O10 MolecularWeight: 559.6496

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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(C(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(C(C)C)NC)O)(C(=O)C(C)NC)O)(C(=O)O)O)NC

InChI

InChI=1S/C26H45N3O10/c1-10-14(4)19(29-9)16(30)11-26(39,23(35)36)22(34)25(38,20(32)15(5)27-7)12-17(31)24(6,37)21(33)18(28-8)13(2)3/h13-15,18-19,27-29,37-39H,10-12H2,1-9H3,(H,35,36)