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Substance Name: 14-Oxa-2,8,11-triazahexadecanoic acid, 4-hydroxy-9-(1-methylethyl)-7,10-dioxo-3-(phenylmethyl)-6-((2,3,4-trimethoxyphenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4R*,6S*,9R*))-
RN: 178047-85-3
InChIKey: AVSXVULTSHTIFT-KGVZJERPSA-N

Molecular Formula

  • C36-H55-N3-O9

Molecular Weight

  • 673.8425
 
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Names and Synonyms

  • 14-Oxa-2,8,11-triazahexadecanoic acid, 4-hydroxy-9-(1-methylethyl)-7,10-dioxo-3-(phenylmethyl)-6-((2,3,4-trimethoxyphenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4R*,6S*,9R*))-

Registry Numbers

CAS Registry Number

  • 178047-85-3

System Generated Number

  • 0178047853

Structure Descriptors

InChI

1S/C36H55N3O9/c1-10-47-19-18-37-34(42)30(23(2)3)39-33(41)26(21-25-16-17-29(44-7)32(46-9)31(25)45-8)22-28(40)27(20-24-14-12-11-13-15-24)38-35(43)48-36(4,5)6/h11-17,23,26-28,30,40H,10,18-22H2,1-9H3,(H,37,42)(H,38,43)(H,39,41)/t26-,27+,28+,30+/m1/s1

InChIKey

AVSXVULTSHTIFT-KGVZJERPSA-N

Smiles

CCOCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(c(c1OC)OC)OC)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O