(phenylmethyl) N-[(2S,3S)-1-bromanyl-2-oxidanyl-7-(phenylmethoxycarbonylamino)heptan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-bromanyl-2-oxidanyl-7-(phenylmethoxycarbonylamino)heptan-3-yl]carbamate Openeye Name: benzyl N-[(1S)-5-(benzyloxycarbonylamino)-1-[(1S)-2-bromo-1-hydroxy-ethyl]pentyl]carbamate CAS Name: N-[(2S,3S)-1-bromo-2-hydroxy-7-(phenylmethoxycarbonylamino)heptan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-bromo-2-hydroxy-7-(phenylmethoxycarbonylamino)heptan-3-yl]carbamate Traditional Name: N-[(1S)-5-(benzyloxycarbonylamino)-1-[(1S)-2-bromo-1-hydroxy-ethyl]pentyl]carbamic acid benzyl ester Formula: C23H29BrN2O5 MolecularWeight: 493.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(CBr)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC[C@@H]([C@@H](CBr)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29BrN2O5/c24-15-21(27)20(26-23(29)31-17-19-11-5-2-6-12-19)13-7-8-14-25-22(28)30-16-18-9-3-1-4-10-18/h1-6,9-12,20-21,27H,7-8,13-17H2,(H,25,28)(H,26,29)/t20-,21+/m0/s1