(2S)-2-amino-4-[[(1S)-2-(5-bromo-2,3-dihydroxy-phenyl)sulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid

Molecular Formula: C16H20BrN3O8S


InChI: InChI=1/C16H20BrN3O8S/c17-7-3-10(21)14(25)11(4-7)29-6-9(15(26)19-5-13(23)24)20-12(22)2-1-8(18)16(27)28/h3-4,8-9,21,25H,1-2,5-6,18H2,(H,19,26)(H,20,22)(H,23,24)(H,27,28)/t8-,9-/m0/s1/f/h19-20,23,27H

InChIKey: InChIKey=RPPCNELAICWYHU-DYUQRSLDDW
SMILES: C1=C(C=C(C(=C1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O)Br

Names:
    (2S)-2-amino-4-[[(1S)-2-(5-bromo-2,3-dihydroxy-phenyl)sulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic acid

Registries:
    PubChem CID 174854
    PubChem ID 10258142