tert-butyl 4-[(2S)-2-(phenylmethoxycarbonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-(phenylmethoxycarbonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)-3-[4-(8-quinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-(phenylmethoxycarbonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C35H38N4O8S MolecularWeight: 674.76322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC4=C3N=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H38N4O8S/c1-35(2,3)46-34(42)39-21-19-38(20-22-39)32(40)29(37-33(41)45-24-26-9-5-4-6-10-26)23-25-14-16-28(17-15-25)47-48(43,44)30-13-7-11-27-12-8-18-36-31(27)30/h4-18,29H,19-24H2,1-3H3,(H,37,41)/t29-/m0/s1