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Substance Name: Fumaryl diketopiperazine
RN: 176738-91-3
UNII: XB09609XSL
InChIKey: BBNKIRVUCQNAQR-FETIZUMASA-N

Molecular Formula

  • C20-H28-N4-O8

Molecular Weight

  • 452.4612
 
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Names and Synonyms

Name of Substance

  • Fumaryl diketopiperazine

Synonym

  • UNII-XB09609XSL

Registry Numbers

CAS Registry Number

  • 176738-91-3

FDA UNII

  • XB09609XSL

System Generated Number

  • 0176738913

Structure Descriptors

InChI

1S/C20H28N4O8/c25-15(7-9-17(27)28)21-11-3-1-5-13-19(31)24-14(20(32)23-13)6-2-4-12-22-16(26)8-10-18(29)30/h7-10,13-14H,1-6,11-12H2,(H,21,25)(H,22,26)(H,23,32)(H,24,31)(H,27,28)(H,29,30)/b9-7+,10-8+/t13-,14-/m0/s1

InChIKey

BBNKIRVUCQNAQR-FETIZUMASA-N

Smiles

C(C[C@@H]1NC(=O)[C@@H](NC1=O)CCCCNC(=O)/C=C/C(=O)O)CCNC(=O)/C=C/C(=O)O