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Substance Name: Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-2-pyrimidinyl-
RN: 183854-16-2
InChIKey: KWIOWBKKSAFPTL-RNATXAOGSA-N

Molecular Formula

  • C43-H40-N8-O5

Molecular Weight

  • 748.84
 
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Names and Synonyms

Synonym

  • (4aalpha,5alpha,6beta,7beta)-3,3'-(Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)bis(N-2-pyrimidinylbenzamide)

Systematic Name

  • Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-2-pyrimidinyl-

Registry Numbers

CAS Registry Number

  • 183854-16-2

System Generated Number

  • 0183854162

Structure Descriptors

InChI

1S/C43H40N8O5/c52-37-35(25-29-11-3-1-4-12-29)50(27-31-15-7-17-33(23-31)39(54)48-41-44-19-9-20-45-41)43(56)51(36(38(37)53)26-30-13-5-2-6-14-30)28-32-16-8-18-34(24-32)40(55)49-42-46-21-10-22-47-42/h1-24,35-38,52-53H,25-28H2,(H,44,45,48,54)(H,46,47,49,55)/t35-,36-,37+,38+/m1/s1

InChIKey

KWIOWBKKSAFPTL-RNATXAOGSA-N

Smiles

c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4ncccn4)Cc5cccc(c5)C(=O)Nc6ncccn6)Cc7ccccc7)O)O