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Substance Name: L-Alanine, N-(4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (1R-(1alpha,2beta,4abeta,8aalpha))-
RN: 129885-21-8
InChIKey: IVKXCFKRBRWRDF-IQOBUSDXSA-N

Molecular Formula

  • C24-H33-N-O4

Molecular Weight

  • 399.528
 
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Names and Synonyms

Synonym

  • (2S)-2-((4-(((1R,4aS,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl)amino)propanoic acid

Systematic Name

  • L-Alanine, N-(4-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-3,6-dioxo-1,4-cyclohexadien-1-yl)-, (1R-(1alpha,2beta,4abeta,8aalpha))-

Registry Numbers

CAS Registry Number

  • 129885-21-8

System Generated Number

  • 0129885218

Structure Descriptors

InChI

1S/C24H33NO4/c1-14-7-6-8-21-23(14,4)10-9-15(2)24(21,5)13-17-11-20(27)18(12-19(17)26)25-16(3)22(28)29/h7,11-12,15-16,21,25H,6,8-10,13H2,1-5H3,(H,28,29)/t15?,16-,21+,23+,24+/m0/s1

InChIKey

IVKXCFKRBRWRDF-IQOBUSDXSA-N

Smiles

C([C@@H](NC1=CC(C(=CC1=O)C[C@@]1([C@@H](CC[C@@]2(C(=CCC[C@@H]12)C)C)C)C)=O)C)(=O)O