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Substance Name: Butanediamide, N1-((1S,2R)-3-((2S)-2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-
RN: 127749-99-9
InChIKey: PWAMRQBZIMSSPD-XFTNXAEASA-N

Molecular Formula

  • C34-H44-N6-O5

Molecular Weight

  • 616.7586
 
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Names and Synonyms

Synonyms

  • (R)2QuinCOAsnPhe(CHOHCH2)PipCONHtBu
  • N-tert-Butyl-1-(2(R)-hydroxy-3(S)-((N-(2-quinolylcarbonyl)-L-asparaginyl)amino)-4-phenylbutyl)-2(S)piperidinecarboxamide

Systematic Name

  • Butanediamide, N1-((1S,2R)-3-((2S)-2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-

Registry Numbers

CAS Registry Number

  • 127749-99-9

System Generated Number

  • 0127749999

Structure Descriptors

InChI

1S/C34H44N6O5/c1-34(2,3)39-33(45)28-15-9-10-18-40(28)21-29(41)26(19-22-11-5-4-6-12-22)37-32(44)27(20-30(35)42)38-31(43)25-17-16-23-13-7-8-14-24(23)36-25/h4-8,11-14,16-17,26-29,41H,9-10,15,18-21H2,1-3H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28-,29+/m0/s1

InChIKey

PWAMRQBZIMSSPD-XFTNXAEASA-N

Smiles

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