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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-(4-methyl-2-pyrimidinyl)-
RN: 183856-56-6
InChIKey: JMNLVMWRVGPARO-WESAGZJESA-N

Molecular Formula

  • C45-H44-N8-O5

Molecular Weight

  • 776.8936
 
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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-(4-methyl-2-pyrimidinyl)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-(4-methyl-2-pyrimidinyl)-

Registry Numbers

CAS Registry Number

  • 183856-56-6

System Generated Number

  • 0183856566

Structure Descriptors

InChI

1S/C45H44N8O5/c1-29-19-21-46-43(48-29)50-41(56)35-17-9-15-33(23-35)27-52-37(25-31-11-5-3-6-12-31)39(54)40(55)38(26-32-13-7-4-8-14-32)53(45(52)58)28-34-16-10-18-36(24-34)42(57)51-44-47-22-20-30(2)49-44/h3-24,37-40,54-55H,25-28H2,1-2H3,(H,46,48,50,56)(H,47,49,51,57)/t37-,38-,39+,40+/m1/s1

InChIKey

JMNLVMWRVGPARO-WESAGZJESA-N

Smiles

Cc1ccnc(n1)NC(=O)c2cccc(c2)CN3[C@@H]([C@@H]([C@H]([C@H](N(C3=O)Cc4cccc(c4)C(=O)Nc5nccc(n5)C)Cc6ccccc6)O)O)Cc7ccccc7