tert-butyl 5-bromanyl-3-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]-5-bromo-indole-1-carboxylate CAS Name: 5-bromo-3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]-5-bromo-indole-1-carboxylic acid tert-butyl ester Formula: C25H27BrN2O6 MolecularWeight: 531.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)C[C@@H](C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27BrN2O6/c1-25(2,3)34-24(31)28-14-17(19-13-18(26)10-11-21(19)28)12-20(22(29)32-4)27-23(30)33-15-16-8-6-5-7-9-16/h5-11,13-14,20H,12,15H2,1-4H3,(H,27,30)/t20-/m0/s1