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Substance Name: L-Proline, 1-(3-((4-amino-1,4-dioxo-2-((2-quinolinylcarbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-
RN: 127779-19-5
InChIKey: LSUCVQHOHPYEHY-LAJGZZDBSA-N

Molecular Formula

  • C33-H41-N5-O6

Molecular Weight

  • 603.7159
 
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Names and Synonyms

Synonyms

  • (S)-1-((2R,3S)-3-((S)-3-Carbamoyl-2-((1-quinolin-2-yl-methanoyl)-amino)-propanoylamino)-hydroxy-4-phenyl-butyl)-pyrrolidine-2-carboxylic acid, tert-butyl ester
  • 2QuinCOAsnPhe(CHOHCH2)Pro-OtBu

Systematic Name

  • L-Proline, 1-(3-((4-amino-1,4-dioxo-2-((2-quinolinylcarbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester, (2R-(2R*,3S*(S*)))-

Registry Numbers

CAS Registry Number

  • 127779-19-5

System Generated Number

  • 0127779195

Structure Descriptors

InChI

1S/C33H41N5O6/c1-33(2,3)44-32(43)27-14-9-17-38(27)20-28(39)25(18-21-10-5-4-6-11-21)36-31(42)26(19-29(34)40)37-30(41)24-16-15-22-12-7-8-13-23(22)35-24/h4-8,10-13,15-16,25-28,39H,9,14,17-20H2,1-3H3,(H2,34,40)(H,36,42)(H,37,41)/t25-,26-,27-,28+/m0/s1

InChIKey

LSUCVQHOHPYEHY-LAJGZZDBSA-N

Smiles

CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)c3ccc4ccccc4n3)O