Catalog Number:
AG00ABS4
Chemical Name:
Glyoxalase I inhibitor free base
CAS Number:
174568-92-4
Molecular Formula:
C21H29BrN4O8S
Molecular Weight:
577.4460
MDL Number:
MFCD29924004
IUPAC Name:
ethyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
InChI:
InChI=1S/C21H29BrN4O8S/c1-3-33-18(28)11-24-19(29)16(25-17(27)10-9-15(23)20(30)34-4-2)12-35-21(31)26(32)14-7-5-13(22)6-8-14/h5-8,15-16,32H,3-4,9-12,23H2,1-2H3,(H,24,29)(H,25,27)/t15-,16-/m0/s1
InChI Key:
PYPKSBBTQSNXLR-HOTGVXAUSA-N
SMILES:
CCOC(=O)CNC(=O)[C@@H](NC(=O)CC[C@@H](C(=O)OCC)N)CSC(=O)N(c1ccc(cc1)Br)O
