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

Systemtic Name: (2S)-2-benzamido-5-oxidanylidene-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-oxo-5-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-benzamido-5-oxo-5-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-benzamido-5-keto-5-(4-p-cumenylsulfonylpiperazino)valeric acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O6S/c1-18(2)19-8-10-21(11-9-19)35(33,34)28-16-14-27(15-17-28)23(29)13-12-22(25(31)32)26-24(30)20-6-4-3-5-7-20/h3-11,18,22H,12-17H2,1-2H3,(H,26,30)(H,31,32)/t22-/m0/s1