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Substance Name: Benzoic acid, 3-(((4R,5S,6S,7R)-hexahydro-5,6-dihydroxy-3-(5-hydroxypentyl)-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl)methyl)-, ethyl ester
RN: 167824-65-9
InChIKey: IZMLLFHMZHNYNG-ZRTHHSRSSA-N

Molecular Formula

  • C34-H42-N2-O6

Molecular Weight

  • 574.7138
 
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Names and Synonyms

  • Benzoic acid, 3-(((4R,5S,6S,7R)-hexahydro-5,6-dihydroxy-3-(5-hydroxypentyl)-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl)methyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 167824-65-9

System Generated Number

  • 0167824659

Structure Descriptors

InChI

1S/C34H42N2O6/c1-2-42-33(40)28-18-12-17-27(21-28)24-36-30(23-26-15-8-4-9-16-26)32(39)31(38)29(22-25-13-6-3-7-14-25)35(34(36)41)19-10-5-11-20-37/h3-4,6-9,12-18,21,29-32,37-39H,2,5,10-11,19-20,22-24H2,1H3/t29-,30-,31+,32+/m1/s1

InChIKey

IZMLLFHMZHNYNG-ZRTHHSRSSA-N

Smiles

CCOC(=O)c1cccc(c1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CCCCCO)Cc3ccccc3)O)O)Cc4ccccc4