S-((2-chloroethyl)carbamoyl)glutathione

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Also Known As: S-( glutathione|SCCG|[1-13C]cyclohexanol|S-((2-Chloroethyl)carbamoyl)glutathione|2-Chloroethyl-S-carbamoylglutathione|S-[(2-Chloroethyl)carbamoyl]glutathione|S-[(2-chloroethyl)carbamoyl] glutathione|S-((2-CHLOROETHYL)CARBAMOYL) GLUTATHIONE|l-|A-glutamyl-s-[(2-chloroethyl)carbamoyl]-l-cysteinylglycine|L-gammaGlu-S-[(2-Chloroethyl)carbamoyl]-L-Cys-Gly-OH|Glycine, N-(S-(((2-chloroethyl)amino)carbonyl)-N-L-gamma-glutamyl-L-cysteinyl)-|N-(S-(((2-chloroethyl)amino)carbonyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine|L-.GAMMA.GLU-S-((2-CHLOROETHYL)CARBAMOYL)-L-CYS-GLY-OH|L-.GAMMA.-GLUTAMYL-S-((2-CHLOROETHYL)CARBAMOYL)-L-CYSTEINYLGLYCINE|GLYCINE, N-(S-(((2-CHLOROETHYL)AMINO)CARBONYL)-N-L-.GAMMA.-GLUTAMYL-L-CYSTEINYL)-|N-(S-(((2-CHLOROETHYL)AMINO)CARBONYL)-N-L-.GAMMA.-GLUTAMYL-L-CYSTEINYL)GLYCINE|(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-{[(2-chloroethyl)carbamoyl]sulfanyl}ethyl]carbamoyl}butanoic acid|(2S)-2-AMINO-5-(((2R)-1-(CARBOXYMETHYLAMINO)-3-(2-CHLOROETHYLCARBAMOYLSULFANYL)-1-OXOPROPAN-2-YL)AMINO)-5-OXOPENTANOIC ACID|(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid|5-({1-[(Carboxymethyl)imino]-3-({[(2-chloroethyl)imino](hydroxy)methyl}sulfanyl)-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline|5-{[(2R)-1-[(Carboxymethyl)imino]-3-({[(2-chloroethyl)imino](hydroxy)methyl}sulfanyl)-1-hydroxypropan-2-yl]imino}-5-hydroxy-L-norvaline

Molecular Formula	C13H21ClN4O7S
Molecular Weight	412.08194 g/mol
LogP	-3.9
Topological Polar Surface Area	213.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	13
Exact Mass	412.08194
Monoisotopic Mass	412.08194
Heavy Atoms	26
Complexity	535.0

Chemical Identifiers

CAS Number	4668-00-2
SMILES	C(CC(=O)N[C@@H](CSC(=O)NCCCl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChIKey	BXPMYWSZMJXCHC-YUMQZZPRSA-N