methyl 10-(hydroxymethyl)-13-[[10-(hydroxymethyl)-2-methyl-13-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-tridecanoyl]amino]-2-methyl-3-oxidanyl-tridecanoate

Systemtic Name: methyl 10-(hydroxymethyl)-13-[[10-(hydroxymethyl)-2-methyl-13-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-tridecanoyl]amino]-2-methyl-3-oxidanyl-tridecanoate Openeye Name: methyl 13-[[13-(tert-butoxycarbonylamino)-3-hydroxy-10-(hydroxymethyl)-2-methyl-tridecanoyl]amino]-3-hydroxy-10-(hydroxymethyl)-2-methyl-tridecanoate CAS Name: 3-hydroxy-13-[[3-hydroxy-10-(hydroxymethyl)-2-methyl-13-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxotridecyl]amino]-10-(hydroxymethyl)-2-methyltridecanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-13-[[3-hydroxy-10-(hydroxymethyl)-2-methyl-13-[(2-methylpropan-2-yl)oxycarbonylamino]tridecanoyl]amino]-10-(hydroxymethyl)-2-methyltridecanoate Traditional Name: 13-[[13-(tert-butoxycarbonylamino)-3-hydroxy-2-methyl-10-methylol-tridecanoyl]amino]-3-hydroxy-2-methyl-10-methylol-tridecanoic acid methyl ester Formula: C36H70N2O9 MolecularWeight: 674.949

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCCCC(CCCNC(=O)OC(C)(C)C)CO)O)C(=O)NCCCC(CCCCCCC(C(C)C(=O)OC)O)CO

Isomeric SMILES

CC(C(CCCCCCC(CCCNC(=O)OC(C)(C)C)CO)O)C(=O)NCCCC(CCCCCCC(C(C)C(=O)OC)O)CO

InChI

InChI=1S/C36H70N2O9/c1-27(31(41)21-13-9-7-11-18-30(26-40)20-16-24-38-35(45)47-36(3,4)5)33(43)37-23-15-19-29(25-39)17-12-8-10-14-22-32(42)28(2)34(44)46-6/h27-32,39-42H,7-26H2,1-6H3,(H,37,43)(H,38,45)