ditert-butyl (2S)-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[6-(benzyloxycarbonylamino)hexanoylamino]pentanedioate CAS Name: (2S)-2-[[1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[6-(phenylmethoxycarbonylamino)hexanoylamino]pentanedioate Traditional Name: (2S)-2-[6-(benzyloxycarbonylamino)hexanoylamino]glutaric acid ditert-butyl ester Formula: C27H42N2O7 MolecularWeight: 506.63158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)CCCCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H42N2O7/c1-26(2,3)35-23(31)17-16-21(24(32)36-27(4,5)6)29-22(30)15-11-8-12-18-28-25(33)34-19-20-13-9-7-10-14-20/h7,9-10,13-14,21H,8,11-12,15-19H2,1-6H3,(H,28,33)(H,29,30)/t21-/m0/s1