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Substance Name: XV 459
RN: 170902-52-0
InChIKey: SRRJCHGGTPFZSS-ZBFHGGJFSA-N

Molecular Formula

  • C20-H27-N5-O6

Molecular Weight

  • 433.462
 
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Names and Synonyms

Results Name

  • XV 459

Synonym

  • XV459

Systematic Name

  • L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)-

Registry Numbers

CAS Registry Number

  • 170902-52-0

System Generated Number

  • 0170902520

Structure Descriptors

InChI

1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1

InChIKey

SRRJCHGGTPFZSS-ZBFHGGJFSA-N

Smiles

C([C@@H](NC(=O)OCCCC)CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(=N)N)(=O)O