ditert-butyl 4-[6-(3-hexoxy-3-oxidanylidene-propanoyl)oxyhexanoylamino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate

Systemtic Name: ditert-butyl 4-[6-(3-hexoxy-3-oxidanylidene-propanoyl)oxyhexanoylamino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate Openeye Name: ditert-butyl 4-(3-tert-butoxy-3-oxo-propyl)-4-[6-(3-hexoxy-3-oxo-propanoyl)oxyhexanoylamino]heptanedioate CAS Name: 4-[[6-(3-hexoxy-1,3-dioxopropoxy)-1-oxohexyl]amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[6-(3-hexoxy-3-oxopropanoyl)oxyhexanoylamino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate Traditional Name: 4-(3-tert-butoxy-3-keto-propyl)-4-[6-(3-hexoxy-3-keto-propanoyl)oxyhexanoylamino]pimelic acid ditert-butyl ester Formula: C37H65NO11 MolecularWeight: 699.9121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(=O)OCCCCCC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCOC(=O)CC(=O)OCCCCCC(=O)NC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C37H65NO11/c1-11-12-13-16-25-45-32(43)27-33(44)46-26-17-14-15-18-28(39)38-37(22-19-29(40)47-34(2,3)4,23-20-30(41)48-35(5,6)7)24-21-31(42)49-36(8,9)10/h11-27H2,1-10H3,(H,38,39)