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Substance Name: A 80987
RN: 144141-97-9
UNII: 145DTK1W1Y
InChIKey: SSIBMWPFXYSVEK-CUPIEXAXSA-N

Molecular Formula

  • C37-H43-N5-O6

Molecular Weight

  • 653.7757
 
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Names and Synonyms

Results Name

  • A 80987

Name of Substance

  • RO-32-2175

Synonyms

  • A 80987
  • A-80987
  • UNII-145DTK1W1Y

Systematic Name

  • 2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-, 3-pyridinylmethyl ester, (5S,8S,9S,11S)-

Registry Numbers

CAS Registry Number

  • 144141-97-9

FDA UNII

  • 145DTK1W1Y

System Generated Number

  • 0144141979

Structure Descriptors

InChI

1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1

InChIKey

SSIBMWPFXYSVEK-CUPIEXAXSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)O)NC(=O)OCc4ccccn4