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Substance Name: (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis((3-((1H-pyrazol-4-yl)phenyl)methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
RN: 189275-62-5
InChIKey: USPVZNGEOQQYLK-RNATXAOGSA-N

Molecular Formula

  • C39-H38-N6-O3

Molecular Weight

  • 638.7682
 
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Names and Synonyms

Synonym

  • XN974

Systematic Name

  • (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis((3-((1H-pyrazol-4-yl)phenyl)methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one

Registry Numbers

CAS Registry Number

  • 189275-62-5

System Generated Number

  • 0189275625

Structure Descriptors

InChI

1S/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(25-29-13-7-15-31(17-29)33-21-40-41-22-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)26-30-14-8-16-32(18-30)34-23-42-43-24-34/h1-18,21-24,35-38,46-47H,19-20,25-26H2,(H,40,41)(H,42,43)/t35-,36-,37+,38+/m1/s1

InChIKey

USPVZNGEOQQYLK-RNATXAOGSA-N

Smiles

c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)c4c[nH]nc4)Cc5cccc(c5)c6c[nH]nc6)Cc7ccccc7)O)O