S-Mandelylglutathione

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

Also Known As: S-Mandelylglutathione|S-mandeloylglutathione|cis,cis-1,3,5-Trihydroxycyclohexane|N-[N-(L-gamma-Glutamyl)-S-mandeloyl-L-cysteinyl]glycine|Glycine, N-(N-L-gamma-glutamyl-S-(hydroxyphenylacetyl)-L-cysteinyl)-|l-|A-glutamyl-s-[hydroxy(phenyl)acetyl]-l-cysteinylglycine|(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(2-hydroxy-2-phenylacetyl)sulfanyl]ethyl]carbamoyl}butanoic acid|(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-hydroxy-2-phenylacetyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid|(S)-2-Amino-4-[(R)-1-(carboxymethyl-carbamoyl)-2-(2-hydroxy-2-phenyl-acetylsulfanyl)-ethylcarbamoyl]-butyric acid|5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[hydroxy(phenyl)acetyl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline|5-{[(2R)-1-[(Carboxymethyl)imino]-1-hydroxy-3-{[hydroxy(phenyl)acetyl]sulfanyl}propan-2-yl]imino}-5-hydroxy-L-norvaline

Molecular Formula	C18H23N3O8S
Molecular Weight	441.12057 g/mol
LogP	-3.3
Topological Polar Surface Area	221.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	13
Exact Mass	441.12057
Monoisotopic Mass	441.12057
Heavy Atoms	30
Complexity	639.0

Chemical Identifiers

CAS Number	5451-74-1
SMILES	C1=CC=C(C=C1)C(C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
InChIKey	YUKXYNWSJMQEBV-GYZKLXCISA-N