N-[(2-Chloroethyl)(Nitroso)Carbamoyl]-L-Alanyl-L-Alanine

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Formula C9H15ClN4O5
IUPAC Name (2s)-2-[[(2s)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 294.692 g·mol−1
Heat of Formation -812.7 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 330.27 Å 3
Surface Area 308.78 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoyl]amino]propanoic acid
  • (2s)-2-[[(2s)-2-[(2-chloroethyl-nitroso-carbamoyl)amino]propanoyl]amino]propionic acid
  • (2s)-2-[[(2s)-2-[[(2-chloroethyl-nitrosoamino)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid
  • chloroethylnitrosocarbamoyl-alanyl-alanine
  • cnc-ala-ala
  • cnc-alanylalanine
  • l-alanine, n-(n-(((2-chloroethyl)nitrosoamino)carbonyl)-l-alanyl)-
  • n-(n-(((2-chloroethyl)nitrosoamino)carbonyl)-l-alanyl)-l-alanine
CAS Number(s)
  • 93299-11-7
InChIKey ORIIFNMRPNZKHW-WDSKDSINSA-N
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Elements H C N O Cl