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Substance Name: KNI 153
RN: 144830-08-0
InChIKey: JVBMLUUKYDVROE-OBXRUURASA-N

Molecular Formula

  • C33-H40-N6-O6

Molecular Weight

  • 616.715
 
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Names and Synonyms

Results Name

  • KNI 153

Synonyms

  • KNI-153
  • Qc-Asn-Apns-Pro-NH-tBu

Systematic Name

  • N^2-(2-Quinolinylcarbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-L-prolinamide

Registry Numbers

CAS Registry Number

  • 144830-08-0

System Generated Number

  • 0144830080

Structure Descriptors

InChI

1S/C33H40N6O6/c1-33(2,3)38-31(44)26-14-9-17-39(26)32(45)28(41)24(18-20-10-5-4-6-11-20)36-30(43)25(19-27(34)40)37-29(42)23-16-15-21-12-7-8-13-22(21)35-23/h4-8,10-13,15-16,24-26,28,41H,9,14,17-19H2,1-3H3,(H2,34,40)(H,36,43)(H,37,42)(H,38,44)/t24-,25-,26-,28-/m0/s1

InChIKey

JVBMLUUKYDVROE-OBXRUURASA-N

Smiles

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