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

Systemtic Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-4-[6-(phenylmethoxycarbonylamino)hexanoylamino]heptanedioate Openeye Name: ditert-butyl 4-[6-(benzyloxycarbonylamino)hexanoylamino]-4-(3-tert-butoxy-3-oxo-propyl)heptanedioate CAS Name: 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[[1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]heptanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[6-(phenylmethoxycarbonylamino)hexanoylamino]heptanedioate Traditional Name: 4-[6-(benzyloxycarbonylamino)hexanoylamino]-4-(3-tert-butoxy-3-keto-propyl)pimelic acid ditert-butyl ester Formula: C36H58N2O9 MolecularWeight: 662.85372

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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)CCCCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)NC(=O)CCCCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C36H58N2O9/c1-33(2,3)45-29(40)19-22-36(23-20-30(41)46-34(4,5)6,24-21-31(42)47-35(7,8)9)38-28(39)18-14-11-15-25-37-32(43)44-26-27-16-12-10-13-17-27/h10,12-13,16-17H,11,14-15,18-26H2,1-9H3,(H,37,43)(H,38,39)