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

Systemtic Name: tert-butyl 4-[(2S)-2-(ethoxycarbonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(ethoxycarbonylamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-(ethoxycarbonylamino)-1-oxo-3-[4-(8-quinolinylsulfonyloxy)phenyl]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-(ethoxycarbonylamino)-3-(4-quinolin-8-ylsulfonyloxyphenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(carbethoxyamino)-3-[4-(8-quinolylsulfonyloxy)phenyl]propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H36N4O8S MolecularWeight: 612.69384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H36N4O8S/c1-5-40-28(36)32-24(27(35)33-16-18-34(19-17-33)29(37)41-30(2,3)4)20-21-11-13-23(14-12-21)42-43(38,39)25-10-6-8-22-9-7-15-31-26(22)25/h6-15,24H,5,16-20H2,1-4H3,(H,32,36)/t24-/m0/s1