(2S)-2-benzamido-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C24H29N3O8S MolecularWeight: 519.56736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C24H29N3O8S/c1-34-20-10-8-18(16-21(20)35-2)36(32,33)27-14-12-26(13-15-27)22(28)11-9-19(24(30)31)25-23(29)17-6-4-3-5-7-17/h3-8,10,16,19H,9,11-15H2,1-2H3,(H,25,29)(H,30,31)/t19-/m0/s1