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Substance Name: 2-Quinolinecarboxamide, N-(2-((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)-1-((methylthio)methyl)-2-oxoethyl)-, (2S-(1(1R*(S*),2S*),2R*))-
RN: 127750-00-9
InChIKey: MATDMESVLVWDAX-GCXHJFECSA-N

Molecular Formula

  • C34-H45-N5-O4-S

Molecular Weight

  • 619.8265
 
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Names and Synonyms

Synonyms

  • 1-((2-Quinolincarbonyl)-(S-methylcystyl)-(decarbonylPhehydroxyethyl))-2-(N-tertbutylcarbamoyl)piperidine
  • 2Quin(SMeCys)Phe(CHOHCH2)pipCONHtBu

Systematic Name

  • 2-Quinolinecarboxamide, N-(2-((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)-1-((methylthio)methyl)-2-oxoethyl)-, (2S-(1(1R*(S*),2S*),2R*))-

Registry Numbers

CAS Registry Number

  • 127750-00-9

System Generated Number

  • 0127750009

Structure Descriptors

InChI

1S/C34H45N5O4S/c1-34(2,3)38-33(43)29-16-10-11-19-39(29)21-30(40)27(20-23-12-6-5-7-13-23)36-32(42)28(22-44-4)37-31(41)26-18-17-24-14-8-9-15-25(24)35-26/h5-9,12-15,17-18,27-30,40H,10-11,16,19-22H2,1-4H3,(H,36,42)(H,37,41)(H,38,43)/t27-,28-,29-,30+/m0/s1

InChIKey

MATDMESVLVWDAX-GCXHJFECSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)c3ccc4ccccc4n3)O