(2S)-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(4-brosylpiperazino)-5-keto-valeric acid Formula: C23H26BrN3O7S MolecularWeight: 568.43744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H26BrN3O7S/c24-18-6-8-19(9-7-18)35(32,33)27-14-12-26(13-15-27)21(28)11-10-20(22(29)30)25-23(31)34-16-17-4-2-1-3-5-17/h1-9,20H,10-16H2,(H,25,31)(H,29,30)/t20-/m0/s1