N-{4-[(2-Chloroethyl){2-[(Methylsulfonyl)Oxy]Ethyl}Amino]Benzoyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C17H23ClN2O8S
IUPAC Name (2s)-2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid
Molecular Mass 450.891 g·mol−1
Heat of Formation -1459.6 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 499.15 Å 3
Surface Area 443.86 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-(2-chloroethyl-(2-methylsulfonyloxyethyl)amino)benzoyl]amino]glutaric acid
  • (2s)-2-[[4-(2-chloroethyl-(2-methylsulfonyloxyethyl)amino)benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-(2-chloroethyl-(2-methylsulfonyloxyethyl)amino)phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-(2-chloroethyl-(2-methylsulfonyloxyethyl)amino)phenyl]-oxomethyl]amino]pentanedioic acid
  • 4-((2-chloroethyl)(2-mesyloxyethyl)amino)benzoylglutamic acid
  • 4-cema-benzoyl-glutamic acid
  • cmda
  • l-glutamic acid, n-(4-((2-chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzoyl)-
  • n-(4-((2-chloroethyl)(2-((methylsulfonyl)oxy)ethyl)amino)benzoyl)-l-glutamic acid
CAS Number(s)
  • 122665-73-0
InChIKey QVWYCTGTGHDWFQ-AWEZNQCLSA-N
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