ditert-butyl (2S)-2-[12-(phenylmethoxycarbonylamino)dodecanoylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[12-(phenylmethoxycarbonylamino)dodecanoylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[12-(benzyloxycarbonylamino)dodecanoylamino]pentanedioate CAS Name: (2S)-2-[[1-oxo-12-(phenylmethoxycarbonylamino)dodecyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[12-(phenylmethoxycarbonylamino)dodecanoylamino]pentanedioate Traditional Name: (2S)-2-[12-(benzyloxycarbonylamino)dodecanoylamino]glutaric acid ditert-butyl ester Formula: C33H54N2O7 MolecularWeight: 590.79106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54N2O7/c1-32(2,3)41-29(37)23-22-27(30(38)42-33(4,5)6)35-28(36)21-17-12-10-8-7-9-11-13-18-24-34-31(39)40-25-26-19-15-14-16-20-26/h14-16,19-20,27H,7-13,17-18,21-25H2,1-6H3,(H,34,39)(H,35,36)/t27-/m0/s1