4-Glutathionyl cyclophosphamide
Basic information
- Standard SMILES
NC(CCC(=O)NC(CSC1CCOP(=O)(N(CCCl)CCCl)N1)C(=O)NCC(=O)O)C(=O)O- InChIKey
CXEDBYAXQXFDHD-UHFFFAOYSA-N- Molecular formula
- C17H30Cl2N5O8PS
- Average molar mass
- 566.4 g/mol
- Monoisotopic mass
- 565.0929765
Overview
4-Glutathionyl cyclophosphamide is a peptide.
Names & identifiers
- Preferred name
- 4-Glutathionyl cyclophosphamide
- IUPAC
- 2-amino-5-[[3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
4-Glutathionyl cyclophosphamide2-amino-5-[[1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2$l^{5}-oxazaphosphinan-4-yl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid2-amino-4-((2-((2-(bis(2-chloroethyl)amino)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl)sulfanyl)-1-((carboxymethyl)-C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl)butanoic acid2-amino-4-{[2-({2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl}sulfanyl)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid2-amino-5-((1-((2-(bis(2-chloroethyl)amino)-2-oxo-1,3,2$l^(5)-oxazaphosphinan-4-yl)sulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl)amino)-5-oxo-pentanoic acidRefChem:99067CHEMBL2074795C11583AC1L9EDECHEBI:1831DTXSID0013433262-amino-5-[[3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2
Show more names
CDA27367N-[S-[2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl]-N-L-gamma-glutamyl-L-cysteinyl]glycineQ27105512
Database identifiers
- PubChem CID
- 443288
- DTXSID
DTXSID001343326- ChEMBL
CHEMBL2074795- ChEBI
CHEBI:1831
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 761
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Metabolite PathwaysCyclophosphamide Action Pathway
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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