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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(phenylmethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162539-58-4
InChIKey: VERMKZUVUYNLHI-UYEZAFAQSA-N

Molecular Formula

  • C37-H51-N3-O7

Molecular Weight

  • 649.8239
 
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Names and Synonyms

Synonym

  • Phe Aminodiol isostere

Systematic Name

  • 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(phenylmethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162539-58-4

System Generated Number

  • 0162539584

Structure Descriptors

InChI

1S/C37H51N3O7/c1-36(2,3)46-34(43)39-30(21-26-13-9-7-10-14-26)32(41)23-38-24-33(42)31(40-35(44)47-37(4,5)6)22-27-17-19-29(20-18-27)45-25-28-15-11-8-12-16-28/h7-20,30-33,38,41-42H,21-25H2,1-6H3,(H,39,43)(H,40,44)/t30-,31-,32+,33+/m0/s1

InChIKey

VERMKZUVUYNLHI-UYEZAFAQSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCc3ccccc3)NC(=O)OC(C)(C)C)O)O