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

Systemtic Name: (2S)-2-azanyl-5-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]valeric acid Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-12-3-5-14(26-2)15(11-12)27(24,25)20-9-7-19(8-10-20)16(21)6-4-13(18)17(22)23/h3,5,11,13H,4,6-10,18H2,1-2H3,(H,22,23)/t13-/m0/s1