(2S)-2-azanyl-5-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N)C

InChI

InChI=1S/C17H25N3O5S/c1-12-3-5-15(13(2)11-12)26(24,25)20-9-7-19(8-10-20)16(21)6-4-14(18)17(22)23/h3,5,11,14H,4,6-10,18H2,1-2H3,(H,22,23)/t14-/m0/s1