Monochloro-monoglutathionyl melphalan
Basic information
- CAS
105554-27-6- Standard SMILES
NC(Cc1ccc(N(CCCl)CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)cc1)C(=O)O- InChIKey
FVSFUWLXGAPZDK-RGBJRUIASA-N- Molecular formula
- C23H34ClN5O8S
- Average molar mass
- 576.1 g/mol
- Monoisotopic mass
- 575.1816619
Overview
Monochloro-monoglutathionyl melphalan is a peptide.
Names & identifiers
- Preferred name
- Monochloro-monoglutathionyl melphalan
- IUPAC
- (2S)-2-amino-5-[[(2R)-3-[2-[4-(2-amino-2-carboxyethyl)-N-(2-chloroethyl)anilino]ethylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
Monochloro-monoglutathionyl melphalan105554-27-6CHEBI:6979(2S)-2-amino-5-[[(2R)-3-[2-[4-(2-amino-2-carboxyethyl)-N-(2-chloroethyl)anilino]ethylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidCHEMBL2074755DTXSID60332071Q27107378L-gamma-Glutamyl-S-(2-{[4-(2-amino-2-carboxyethyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine
Database identifiers
- CAS
105554-27-6- PubChem CID
- 443302
- DTXSID
DTXSID60332071- ChEMBL
CHEMBL2074755- ChEBI
CHEBI:6979
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 19
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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