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Substance Name: Nelipepimut-S [USAN]
RN: 160212-35-1
UNII: 7M0A29CD8B
InChIKey: AHOKKYCUWBLDST-QYULHYBRSA-N

Note

  • A component of an anti-HER2 vaccine.

Classification Code

  • Cancer Immunotherapy for Prevention and Delay of Cancer Recurrence

Molecular Formula

  • C50-H78-N10-O11

Molecular Weight

  • 995.2252
 
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Names and Synonyms

Name of Substance

  • Nelipepimut-S [USAN]

Synonyms

  • E75 peptide
  • L-Leucine, L-lysyl-L-isoleucyl-L-phenylalanylglycyl-L-seryl-L-leucyl-L-alanyl-L-phenylalanyl-
  • Nelipepimut-S
  • NeuVax
  • NeuVax vaccine
  • UNII-7M0A29CD8B

Systematic Name

  • Human receptor tyrosine-protein kinase erbB-2 (proto-oncogene Neu, tyrosine kinase- type cell surface receptor HER2, CD340)-(347-355)-peptide

Registry Numbers

CAS Registry Number

  • 160212-35-1

FDA UNII

  • 7M0A29CD8B

System Generated Number

  • 0160212351

Structure Descriptors

InChI

InChI=1S/C50H78N10O11/c1-8-31(6)42(60-44(64)35(52)21-15-16-22-51)49(69)58-37(25-33-17-11-9-12-18-33)45(65)53-27-41(62)55-40(28-61)48(68)57-36(23-29(2)3)46(66)54-32(7)43(63)56-38(26-34-19-13-10-14-20-34)47(67)59-39(50(70)71)24-30(4)5/h9-14,17-20,29-32,35-40,42,61H,8,15-16,21-28,51-52H2,1-7H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,68)(H,58,69)(H,59,67)(H,60,64)(H,70,71)/t31-,32-,35-,36-,37-,38-,39-,40-,42-/m0/s1

InChIKey

AHOKKYCUWBLDST-QYULHYBRSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)O