tert-butyl (3S)-3-[(4-bromophenyl)methyl]-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-oxidanylidene-indole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(4-bromophenyl)methyl]-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-oxidanylidene-indole-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(4-bromophenyl)methyl]-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-oxo-indoline-1-carboxylate CAS Name: (3S)-3-[(4-bromophenyl)methyl]-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-oxo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(4-bromophenyl)methyl]-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-oxoindole-1-carboxylate Traditional Name: (3S)-3-(4-bromobenzyl)-3-[carbethoxy-(carbethoxyamino)amino]-2-keto-indoline-1-carboxylic acid tert-butyl ester Formula: C26H30BrN3O7 MolecularWeight: 576.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C(=O)OCC)C1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)NN(C(=O)OCC)[C@]1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C26H30BrN3O7/c1-6-35-22(32)28-30(24(34)36-7-2)26(16-17-12-14-18(27)15-13-17)19-10-8-9-11-20(19)29(21(26)31)23(33)37-25(3,4)5/h8-15H,6-7,16H2,1-5H3,(H,28,32)/t26-/m0/s1