tert-butyl (2R)-2-[(4-bromophenyl)sulfonyl-phenylmethoxy-amino]-4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: tert-butyl (2R)-2-[(4-bromophenyl)sulfonyl-phenylmethoxy-amino]-4-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl (2R)-2-[benzyloxy-(4-bromophenyl)sulfonyl-amino]-4-(benzyloxycarbonylamino)butanoate CAS Name: (2R)-2-[(4-bromophenyl)sulfonyl-phenylmethoxyamino]-4-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(4-bromophenyl)sulfonyl-phenylmethoxyamino]-4-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2R)-2-[benzoxy(brosyl)amino]-4-(benzyloxycarbonylamino)butyric acid tert-butyl ester Formula: C29H33BrN2O7S MolecularWeight: 633.55052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCNC(=O)OCC1=CC=CC=C1)N(OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CCNC(=O)OCC1=CC=CC=C1)N(OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C29H33BrN2O7S/c1-29(2,3)39-27(33)26(18-19-31-28(34)37-20-22-10-6-4-7-11-22)32(38-21-23-12-8-5-9-13-23)40(35,36)25-16-14-24(30)15-17-25/h4-17,26H,18-21H2,1-3H3,(H,31,34)/t26-/m1/s1