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

Systemtic Name: (2S)-2-azanyl-5-[4-(4-bromanyl-2,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(4-bromo-2,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(4-bromo-2,5-dimethoxy-phenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C17H24BrN3O7S MolecularWeight: 494.35736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)N

Isomeric SMILES

COC1=CC(=C(C=C1Br)OC)S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C17H24BrN3O7S/c1-27-13-10-15(14(28-2)9-11(13)18)29(25,26)21-7-5-20(6-8-21)16(22)4-3-12(19)17(23)24/h9-10,12H,3-8,19H2,1-2H3,(H,23,24)/t12-/m0/s1