4-[Bis(2-Chloroethyl)Amino]-N-[(4-Hydroxyphenoxy)Acetyl]-L-Phenylalanine

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Properties Simple | Detailed

Formula C21H24Cl2N2O5
IUPAC Name (2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(4-hydroxyphenoxy)acetyl]amino]propanoic acid
Molecular Mass 455.332 g·mol−1
Heat of Formation -809.5 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 538.25 Å 3
Surface Area 419.03 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[2-(4-hydroxyphenoxy)ethanoylamino]propanoic acid
  • (2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(4-hydroxyphenoxy)-1-oxoethyl]amino]propanoic acid
  • (2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(4-hydroxyphenoxy)acetyl]amino]propanoic acid
  • (2s)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(4-hydroxyphenoxy)acetyl]amino]propionic acid
  • 4-(bis(2-chloroethyl)amino)-n-((4-hydroxyphenoxy)acetyl)-l-phenylalanine
  • l-phenylalanine, 4-(bis(2-chloroethyl)amino)-n-((4-hydroxyphenoxy)acetyl)-
  • melphalan-n-4-hydroxyphenoxyacetamide
  • melpo
CAS Number(s)
  • 131089-09-3
InChIKey ZVHIURZYHWNOKI-IBGZPJMESA-N
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