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Substance Name: 5-(3(R)-(((2(S)-cis-Isopropyl-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: 174173-76-3
InChIKey: ZYXJGWBYPOHODT-KWCHKHDGSA-N

Molecular Formula

  • C30-H47-N3-O6-S3

Molecular Weight

  • 641.9143
 
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Names and Synonyms

Synonym

  • HOCH2CH2 isostere

Systematic Name

  • 5-(3(R)-(((2(S)-cis-Isopropyl-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

  • 174173-76-3

System Generated Number

  • 0174173763

Structure Descriptors

InChI

1S/C30H47N3O6S3/c1-19(2)27-25(12-14-42(27,37)38)39-29(36)31-22(18-41-21-9-7-6-8-10-21)24(34)17-33-16-20-11-13-40-26(20)15-23(33)28(35)32-30(3,4)5/h6-10,19-20,22-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t20-,22+,23+,24-,25+,26+,27+/m1/s1

InChIKey

ZYXJGWBYPOHODT-KWCHKHDGSA-N

Smiles

CC(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