(2S)-2-azanyl-5-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(3-bromo-4-methoxyphenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C16H22BrN3O6S MolecularWeight: 464.33138

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O6S/c1-26-14-4-2-11(10-12(14)17)27(24,25)20-8-6-19(7-9-20)15(21)5-3-13(18)16(22)23/h2,4,10,13H,3,5-9,18H2,1H3,(H,22,23)/t13-/m0/s1