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

Systemtic Name: ditert-butyl (2S)-2-[6-(phenylmethoxycarbonylamino)hexylcarbamoylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[6-(benzyloxycarbonylamino)hexylcarbamoylamino]pentanedioate CAS Name: (2S)-2-[[oxo-[6-(phenylmethoxycarbonylamino)hexylamino]methyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[6-(phenylmethoxycarbonylamino)hexylcarbamoylamino]pentanedioate Traditional Name: (2S)-2-[6-(benzyloxycarbonylamino)hexylcarbamoylamino]glutaric acid ditert-butyl ester Formula: C28H45N3O7 MolecularWeight: 535.6728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N3O7/c1-27(2,3)37-23(32)17-16-22(24(33)38-28(4,5)6)31-25(34)29-18-12-7-8-13-19-30-26(35)36-20-21-14-10-9-11-15-21/h9-11,14-15,22H,7-8,12-13,16-20H2,1-6H3,(H,30,35)(H2,29,31,34)/t22-/m0/s1