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Substance Name: 5-(3(R)-(((2(S)-trans-Methyl-1,1-dioxotetrahydro-3(R)-thienyloxy)carbonyl)amino)-4-(phenylthio)-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(R)-carboxamide
RN: 169273-54-5
InChIKey: SSAWLODCPROYGG-PFDRMGOISA-N

Molecular Formula

  • C28-H43-N3-O6-S3

Molecular Weight

  • 613.8607
 
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Names and Synonyms

Synonym

  • HOCH2CH2 isostere

Systematic Name

  • 5-(3(R)-(((2(S)-trans-Methyl-1,1-dioxotetrahydro-3(R)-thienyloxy)carbonyl)amino)-4-(phenylthio)-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(R)-carboxamide

Registry Numbers

CAS Registry Number

  • 169273-54-5

System Generated Number

  • 0169273545

Structure Descriptors

InChI

1S/C28H43N3O6S3/c1-18-24(11-13-40(18,35)36)37-27(34)29-21(17-39-20-8-6-5-7-9-20)23(32)16-31-15-19-10-12-38-25(19)14-22(31)26(33)30-28(2,3)4/h5-9,18-19,21-25,32H,10-17H2,1-4H3,(H,29,34)(H,30,33)/t18-,19+,21-,22-,23+,24+,25-/m0/s1

InChIKey

SSAWLODCPROYGG-PFDRMGOISA-N

Smiles

C[C@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCS[C@H]4C[C@H]3C(=O)NC(C)(C)C)O