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Substance Name: 5-(3(R)-(((2(S)-cis-Isopropyl-tetrahydrothienyl-3(S)-oxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(R)-carboxamide
RN: 174002-94-9
InChIKey: QLFYYBGXVAYDRB-QWZPYLIWSA-N

Molecular Formula

  • C30-H47-N3-O4-S2

Molecular Weight

  • 577.8503
 
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Names and Synonyms

Synonym

  • HOCH2CH2 isostere

Systematic Name

  • 5-(3(R)-(((2(S)-cis-Isopropyl-tetrahydrothienyl-3(S)-oxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(R)-carboxamide

Registry Numbers

CAS Registry Number

  • 174002-94-9

System Generated Number

  • 0174002949

Structure Descriptors

InChI

1S/C30H47N3O4S2/c1-19(2)27-25(12-14-39-27)37-29(36)31-22(15-20-9-7-6-8-10-20)24(34)18-33-17-21-11-13-38-26(21)16-23(33)28(35)32-30(3,4)5/h6-10,19,21-27,34H,11-18H2,1-5H3,(H,31,36)(H,32,35)/t21-,22+,23+,24-,25+,26+,27+/m1/s1

InChIKey

QLFYYBGXVAYDRB-QWZPYLIWSA-N

Smiles

CC(C)[C@H]1[C@H](CCS1)OC(=O)N[C@@H](Cc2ccccc2)[C@@H](CN3C[C@H]4CCS[C@H]4C[C@H]3C(=O)NC(C)(C)C)O