ditert-butyl (2S)-2-[8-(phenylmethoxycarbonylamino)octanoylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[8-(phenylmethoxycarbonylamino)octanoylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[8-(benzyloxycarbonylamino)octanoylamino]pentanedioate CAS Name: (2S)-2-[[1-oxo-8-(phenylmethoxycarbonylamino)octyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[8-(phenylmethoxycarbonylamino)octanoylamino]pentanedioate Traditional Name: (2S)-2-[8-(benzyloxycarbonylamino)octanoylamino]glutaric acid ditert-butyl ester Formula: C29H46N2O7 MolecularWeight: 534.68474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2O7/c1-28(2,3)37-25(33)19-18-23(26(34)38-29(4,5)6)31-24(32)17-13-8-7-9-14-20-30-27(35)36-21-22-15-11-10-12-16-22/h10-12,15-16,23H,7-9,13-14,17-21H2,1-6H3,(H,30,35)(H,31,32)/t23-/m0/s1