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Substance Name: XN 127
RN: 167826-76-8
InChIKey: IMZZHVHPPUNPKB-XPGKHFPBSA-N

Molecular Formula

  • C27-H40-N2-O3

Molecular Weight

  • 440.624
 
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Names and Synonyms

Results Name

  • XN 127

Synonym

  • XN127

Systematic Name

  • (4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-4,7-bis(2-methylpropyl)-2H-1,3-diazepin-2-one

Registry Numbers

CAS Registry Number

  • 167826-76-8

System Generated Number

  • 0167826768

Structure Descriptors

InChI

1S/C27H40N2O3/c1-19(2)15-23-25(30)26(31)24(16-20(3)4)29(18-22-13-9-6-10-14-22)27(32)28(23)17-21-11-7-5-8-12-21/h5,7-9,11-14,19-20,23-26,30-31H,6,10,15-18H2,1-4H3/t23-,24-,25+,26+/m1/s1

InChIKey

IMZZHVHPPUNPKB-XPGKHFPBSA-N

Smiles

CC(C)C[C@@H]1[C@@H]([C@H]([C@H](N(C(=O)N1Cc2ccccc2)CC3=CCCC=C3)CC(C)C)O)O