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Substance Name: 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-methylheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-
RN: 179893-99-3
InChIKey: LKCCOVZVNWPCLW-WZJLIZBTSA-N

Molecular Formula

  • C35-H54-N2-O3

Molecular Weight

  • 550.8226
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1,3-bis(6-methylheptyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

Registry Numbers

CAS Registry Number

  • 179893-99-3

System Generated Number

  • 0179893993

Structure Descriptors

InChI

1S/C35H54N2O3/c1-27(2)17-9-7-15-23-36-31(25-29-19-11-5-12-20-29)33(38)34(39)32(26-30-21-13-6-14-22-30)37(35(36)40)24-16-8-10-18-28(3)4/h5-6,11-14,19-22,27-28,31-34,38-39H,7-10,15-18,23-26H2,1-4H3/t31-,32-,33+,34+/m1/s1

InChIKey

LKCCOVZVNWPCLW-WZJLIZBTSA-N

Smiles

CC(C)CCCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CCCCCC(C)C)Cc2ccccc2)O)O)Cc3ccccc3