tert-butyl 2-[(4-acetamidophenyl)carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: tert-butyl 2-[(4-acetamidophenyl)carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: tert-butyl 2-[(4-acetamidobenzoyl)amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: 2-[[(4-acetamidophenyl)-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-acetamidobenzoyl)amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-[(4-acetamidobenzoyl)amino]-6-(benzyloxycarbonylamino)hexanoic acid tert-butyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N3O6/c1-19(31)29-22-15-13-21(14-16-22)24(32)30-23(25(33)36-27(2,3)4)12-8-9-17-28-26(34)35-18-20-10-6-5-7-11-20/h5-7,10-11,13-16,23H,8-9,12,17-18H2,1-4H3,(H,28,34)(H,29,31)(H,30,32)