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Substance Name: 5-(3(R)-(((1,1-Dioxotetrahydrothienyl-3(S)-oxy)carbonyl)amino)-4-(phenylthio)-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(R)-carboxamide
RN: 169273-51-2
InChIKey: DMVZKUWZKVVEEN-YNFNHKPXSA-N

Molecular Formula

  • C27-H41-N3-O6-S3

Molecular Weight

  • 599.8339
 
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Names and Synonyms

Synonym

  • HOCH2CH2 isostere

Systematic Name

  • 5-(3(R)-(((1,1-Dioxotetrahydrothienyl-3(S)-oxy)carbonyl)amino)-4-(phenylthio)-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(R)-carboxamide

Registry Numbers

CAS Registry Number

  • 169273-51-2

System Generated Number

  • 0169273512

Structure Descriptors

InChI

1S/C27H41N3O6S3/c1-27(2,3)29-25(32)22-13-24-18(9-11-37-24)14-30(22)15-23(31)21(16-38-20-7-5-4-6-8-20)28-26(33)36-19-10-12-39(34,35)17-19/h4-8,18-19,21-24,31H,9-17H2,1-3H3,(H,28,33)(H,29,32)/t18-,19+,21+,22+,23-,24+/m1/s1

InChIKey

DMVZKUWZKVVEEN-YNFNHKPXSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1C[C@H]2[C@H](CCS2)CN1C[C@H]([C@H](CSc3ccccc3)NC(=O)O[C@H]4CCS(=O)(=O)C4)O