S-(N-Methylcarbamoyl)glutathione
Basic information
- CAS
38126-73-7- Standard SMILES
CNC(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O- InChIKey
ROWIKVIWEBGFSY-BQBZGAKWSA-N- Molecular formula
- C12H20N4O7S
- Average molar mass
- 364.38 g/mol
- Monoisotopic mass
- 364.10527016
Overview
metabolite of N-methylformamide
Names & identifiers
- Preferred name
- S-(N-Methylcarbamoyl)glutathione
- IUPAC
- (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- S-(N-methylcarbamoyl)glutathione
- Molecular formula
- C12H20N4O7S
- Molecular weight
- 364.38
Names & synonyms
S-(N-Methylcarbamoyl)glutathione38126-73-7SNMCGFH7D8R2R6EDTXSID90191537L-gamma-Glutamyl-S-((methylamino)carbonyl)-L-cysteinylglycineGlycine, N-(N-L-gamma-glutamyl-S-((methylamino)carbonyl)-L-cysteinyl)-Glycine, L-gamma-glutamyl-S-((methylamino)carbonyl)-L-cysteinyl-RefChem:180585DTXCID30114028(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidUNII-FH7D8R2R6E
Show more names
L-γGlu-S-(N-Methylcarbamoyl)-L-Cys-Gly-OHN-[N-(L-γ-Glutamyl)-S-(methylcarbamoyl)-L-cysteinyl]glycineGlycine, L-γ-glutamyl-S-[(methylamino)carbonyl]-L-cysteinyl-
SCHEMBL6726250S-(N-METHYLCARBAMOYL)GSHLAROMUSTINE METABOLITE M4s-(n-methylcarbamoyl) glutathioneDB-266722L-gamma-glutamyl-S-(methylcarbamoyl)-L-cysteinylglycineGLYCINE, L-.GAMMA.-GLUTAMYL-S-((METHYLAMINO)CARBONYL)-L-CYSTEINYL-L-.GAMMA.-GLUTAMYL-S-((METHYLAMINO)CARBONYL)-L-CYSTEINYLGLYCINE
Database identifiers
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
- FDA UNII
- 7 D8R2R6E · FH7D8R2R6E
Chemistry & industry
Applications
UsesA metabolite of the investigational antitumor agent N-methylformamide (NMF).
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Related reactions
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Compound notes
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