Chem
J-GLOBAL ID：200907000215341330   Nikkaji number：J625.455A

4-Glutathionylcyclophosphamide

4-グルタチオニルシクロホスファミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H30Cl2N5O8PS
Molecular formula furigana： C17-H30-CL2-N5-O8-P-S
Molecular weight： 566.390
InChI： InChI=1S/C17H30Cl2N5O8PS/c18-4-6-24(7-5-19)33(31)23-14(3-8-32-33)34-10-12(16(28)21-9-15(26)27)22-13(25)2-1-11(20)17(29)30/h11-12,14H,1-10,20H2,(H,21,28)(H,22,25)(H,23,31)(H,26,27)(H,29,30)/t11-,12-,14?,33?/m0/s1
InChI key： CXEDBYAXQXFDHD-XNZWOTSQSA-N
SMILES： N[C@@H](CCC(=O)N[C@@H](CSC1CCOP(=O)(N1)N(CCCl)CCCl)C(=O)NCC(=O)O)C(=O)O
Systematic name  (3)：
  • L-γGlu-S-[[2-[ビス(2-クロロエチル)アミノ]-2-オキソテトラヒドロ-2H-1,3,2-オキサザホスホリン]-4-イル]-L-Cys-Gly-OH
  • (2S)-2-アミノ-4-{[(1R)-2-({2-[ビス(2-クロロエチル)アミノ]-2-オキソ-1,3,2λ5-オキサザホスフィナン-4-イル}スルファニル)-1-[(カルボキシメチル)カルバモイル]エチル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(1R)-2-({2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl}sulfanyl)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (4)：
  • 4-グルタチオニルシクロホスファミド
  • 4-Glutathionylcyclophosphamide
  • L-γGlu-S-[[2-[Bis(2-chloroethyl)amino]-2-oxotetrahydro-2H-1,3,2-oxazaphosphorin]-4-yl]-L-Cys-Gly-OH
  • 4-Glutathionyl cyclophosphamide
KEGG COMPOUND： C11583
Thsaurus map：
Thesaurus Map

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