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

Systemtic Name: (2S)-2-azanyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-oxo-5-[4-(p-tolylsulfonyl)piperazin-1-yl]pentanoic acid CAS Name: (2S)-2-amino-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-(4-tosylpiperazino)valeric acid Formula: C16H23N3O5S MolecularWeight: 369.43592

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S/c1-12-2-4-13(5-3-12)25(23,24)19-10-8-18(9-11-19)15(20)7-6-14(17)16(21)22/h2-5,14H,6-11,17H2,1H3,(H,21,22)/t14-/m0/s1