7-methyl-2-[4-methyl-3-(methylamino)-2-oxidanylidene-hexyl]-4-[3-methyl-2-(methylamino)pentanoyl]-9-[methyl-(phenylmethyl)amino]-2,4,7-tris(oxidanyl)-3,6,8-tris(oxidanylidene)decanoic acid

Systemtic Name: 7-methyl-2-[4-methyl-3-(methylamino)-2-oxidanylidene-hexyl]-4-[3-methyl-2-(methylamino)pentanoyl]-9-[methyl-(phenylmethyl)amino]-2,4,7-tris(oxidanyl)-3,6,8-tris(oxidanylidene)decanoic acid Openeye Name: 9-[benzyl(methyl)amino]-2,4,7-trihydroxy-7-methyl-2-[4-methyl-3-(methylamino)-2-oxo-hexyl]-4-[3-methyl-2-(methylamino)pentanoyl]-3,6,8-trioxo-decanoic acid CAS Name: 2,4,7-trihydroxy-7-methyl-2-[4-methyl-3-(methylamino)-2-oxohexyl]-4-[3-methyl-2-(methylamino)-1-oxopentyl]-9-[methyl-(phenylmethyl)amino]-3,6,8-trioxodecanoic acid IUPAC Name: 9-[benzyl(methyl)amino]-2,4,7-trihydroxy-7-methyl-2-[4-methyl-3-(methylamino)-2-oxohexyl]-4-[3-methyl-2-(methylamino)pentanoyl]-3,6,8-trioxodecanoic acid Traditional Name: 9-[benzyl(methyl)amino]-2,4,7-trihydroxy-3,6,8-triketo-2-[2-keto-4-methyl-3-(methylamino)hexyl]-7-methyl-4-[3-methyl-2-(methylamino)pentanoyl]capric acid Formula: C34H53N3O10 MolecularWeight: 663.79872

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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)N(C)CC1=CC=CC=C1)O)(C(=O)C(C(C)CC)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)N(C)CC1=CC=CC=C1)O)(C(=O)C(C(C)CC)NC)O)(C(=O)O)O)NC

InChI

InChI=1S/C34H53N3O10/c1-10-20(3)26(35-7)24(38)17-34(47,31(43)44)30(42)33(46,29(41)27(36-8)21(4)11-2)18-25(39)32(6,45)28(40)22(5)37(9)19-23-15-13-12-14-16-23/h12-16,20-22,26-27,35-36,45-47H,10-11,17-19H2,1-9H3,(H,43,44)