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Substance Name: 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-10-((3,4,5-trimethoxyphenyl)methyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-
RN: 178048-33-4
InChIKey: BQXKPLXLMDOCBL-VEAWFHDZSA-N

Molecular Formula

  • C35-H53-N3-O9

Molecular Weight

  • 659.8157
 
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Names and Synonyms

  • 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-10-((3,4,5-trimethoxyphenyl)methyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-

Registry Numbers

CAS Registry Number

  • 178048-33-4

System Generated Number

  • 0178048334

Structure Descriptors

InChI

1S/C35H53N3O9/c1-22(2)30(33(41)36-15-16-43-6)38-32(40)25(17-24-19-28(44-7)31(46-9)29(20-24)45-8)21-27(39)26(18-23-13-11-10-12-14-23)37-34(42)47-35(3,4)5/h10-14,19-20,22,25-27,30,39H,15-18,21H2,1-9H3,(H,36,41)(H,37,42)(H,38,40)/t25-,26+,27+,30+/m1/s1

InChIKey

BQXKPLXLMDOCBL-VEAWFHDZSA-N

Smiles

CC(C)[C@@H](C(=O)NCCOC)NC(=O)[C@H](Cc1cc(c(c(c1)OC)OC)OC)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O