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Substance Name: KNI 122
RN: 138228-18-9
InChIKey: SDZWIVRVKZWANS-VAGTVTNBSA-N

Molecular Formula

  • C42-H60-N8-O11

Molecular Weight

  • 852.981
 
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Names and Synonyms

Results Name

  • KNI 122

Synonyms

  • KNI 122
  • KNI-122
  • Ser-Phe-Asn-Pns-Pro-Ile-Val-NH2

Systematic Name

  • L-Valinamide, L-seryl-L-phenylalanyl-L-asparaginyl-(2R,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-L-prolyl-L-isoleucyl-

Registry Numbers

CAS Registry Number

  • 138228-18-9

System Generated Number

  • 0138228189

Structure Descriptors

InChI

1S/C42H60N8O11/c1-5-24(4)34(41(60)48-33(23(2)3)36(44)55)49-40(59)31-17-12-18-50(31)42(61)35(54)28(19-25-13-8-6-9-14-25)45-39(58)30(21-32(52)53)47-38(57)29(46-37(56)27(43)22-51)20-26-15-10-7-11-16-26/h6-11,13-16,23-24,27-31,33-35,51,54H,5,12,17-22,43H2,1-4H3,(H2,44,55)(H,45,58)(H,46,56)(H,47,57)(H,48,60)(H,49,59)(H,52,53)/t24-,27-,28-,29-,30-,31-,33-,34-,35+/m0/s1

InChIKey

SDZWIVRVKZWANS-VAGTVTNBSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)N)O