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

Systemtic Name: (2S)-2-azanyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C17H25N3O7S MolecularWeight: 415.4613

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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)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O7S/c1-26-14-5-3-12(11-15(14)27-2)28(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