tert-butyl 4-[(2S)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-[4-(5-isoquinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-[4-(5-isoquinolinylsulfonyloxy)phenyl]-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-3-(4-isoquinolin-5-ylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-[4-(5-isoquinolylsulfonyloxy)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=C3C=CN=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=C3C=CN=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H38N4O8S/c1-35(2,3)46-34(42)39-20-18-38(19-21-39)32(40)30(37-33(41)45-24-26-8-5-4-6-9-26)22-25-12-14-28(15-13-25)47-48(43,44)31-11-7-10-27-23-36-17-16-29(27)31/h4-17,23,30H,18-22,24H2,1-3H3,(H,37,41)/t30-/m0/s1