(2S)-2-benzamido-5-oxidanylidene-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-oxidanylidene-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-benzamido-5-oxo-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pentanoic acid CAS Name: (2S)-2-benzamido-5-oxo-5-[4-(4-phenylphenyl)sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-benzamido-5-oxo-5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-benzamido-5-keto-5-[4-(4-phenylphenyl)sulfonylpiperazino]valeric acid Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O6S/c32-26(16-15-25(28(34)35)29-27(33)23-9-5-2-6-10-23)30-17-19-31(20-18-30)38(36,37)24-13-11-22(12-14-24)21-7-3-1-4-8-21/h1-14,25H,15-20H2,(H,29,33)(H,34,35)/t25-/m0/s1