Methyl N-({4-[Bis(2-Chloroethyl)Amino]Phenyl}Acetyl)-L-Histidinate

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Properties Simple | Detailed

Formula C19H24Cl2N4O3
IUPAC Name methyl (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-imidazol-3-ium-4-ylium-4-yl-propanoate
Molecular Mass 427.325 g·mol−1
Heat of Formation -490.5 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 494.98 Å 3
Surface Area 382.1 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxoethyl]amino]-3-(3h-imidazol-4-yl)propanoic acid methyl ester
  • (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(3h-imidazol-4-yl)propionic acid methyl ester
  • hisfen
  • hisphen
  • histidine, n-((p-(bis(2-chloroethyl)amino)phenyl)acetyl)-, methyl ester, dihydrochloride, l-
  • md 2
  • methyl (2s)-2-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoylamino]-3-(3h-imidazol-4-yl)propanoate
  • methyl (2s)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(3h-imidazol-4-yl)propanoate
  • n-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-l-histidine methyl ester
  • p-di(2-chlorethyl)aminophenacetyl histidine methyl ester
InChIKey OKSCSVIOPIVWTC-KRWDZBQOSA-N
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