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

Systemtic Name: ditert-butyl 4-(6-azanylhexanoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]heptanedioate Openeye Name: ditert-butyl 4-(6-aminohexanoylamino)-4-(3-tert-butoxy-3-oxo-propyl)heptanedioate CAS Name: 4-[(6-amino-1-oxohexyl)amino]-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-(6-aminohexanoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate Traditional Name: 4-(6-aminohexanoylamino)-4-(3-tert-butoxy-3-keto-propyl)pimelic acid ditert-butyl ester Formula: C28H52N2O7 MolecularWeight: 528.72168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H52N2O7/c1-25(2,3)35-22(32)14-17-28(18-15-23(33)36-26(4,5)6,19-16-24(34)37-27(7,8)9)30-21(31)13-11-10-12-20-29/h10-20,29H2,1-9H3,(H,30,31)