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Substance Name: beta-Alanylmelphalan
RN: 112710-37-9
InChIKey: LORKXDSAKCGGGI-AWEZNQCLSA-N

Note

  • Beta-alanine incorporated in melphalan as N-terminal residue to reduce hydrolysis by peptidohydrolases.

Molecular Formula

  • C16-H23-Cl2-N3-O3

Molecular Weight

  • 376.282
 
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Names and Synonyms

Name of Substance

  • beta-Alanylmelphalan

Synonyms

  • Melphalan, beta-alanyl-
  • N-beta-Alanyl-4-(bis(2-chloroethyl)amino)-L-phenylalanine

Systematic Name

  • L-Phenylalanine, N-beta-alanyl-4-(bis(2-chloroethyl)amino)-

Registry Numbers

CAS Registry Number

  • 112710-37-9

System Generated Number

  • 0112710379

Structure Descriptors

InChI

1S/C16H23Cl2N3O3/c17-6-9-21(10-7-18)13-3-1-12(2-4-13)11-14(16(23)24)20-15(22)5-8-19/h1-4,14H,5-11,19H2,(H,20,22)(H,23,24)/t14-/m0/s1

InChIKey

LORKXDSAKCGGGI-AWEZNQCLSA-N

Smiles

c1cc(C[C@@H](C(O)=O)NC(=O)CCN)ccc1N(CCCl)CCCl