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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-(3-methyl-2-pyridinyl)-
RN: 183855-01-8
InChIKey: QKUZOQWGKMBGSS-GLGKVNTQSA-N

Molecular Formula

  • C47-H46-N6-O5

Molecular Weight

  • 774.9174
 
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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-(3-methyl-2-pyridinyl)benzamide)

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-(3-methyl-2-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 183855-01-8

System Generated Number

  • 0183855018

Structure Descriptors

InChI

1S/C47H46N6O5/c1-31-13-11-23-48-43(31)50-45(56)37-21-9-19-35(25-37)29-52-39(27-33-15-5-3-6-16-33)41(54)42(55)40(28-34-17-7-4-8-18-34)53(47(52)58)30-36-20-10-22-38(26-36)46(57)51-44-32(2)14-12-24-49-44/h3-26,39-42,54-55H,27-30H2,1-2H3,(H,48,50,56)(H,49,51,57)/t39-,40-,41+,42+/m1/s1

InChIKey

QKUZOQWGKMBGSS-GLGKVNTQSA-N

Smiles

Cc1cccnc1NC(=O)c2cccc(c2)CN3[C@@H]([C@@H]([C@H]([C@H](N(C3=O)Cc4cccc(c4)C(=O)Nc5c(cccn5)C)Cc6ccccc6)O)O)Cc7ccccc7