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Substance Name: Caerulein(4-10), nle(8)-
RN: 25613-79-0
InChIKey: GZCDGEPFXQGWOW-RMNOTBJOSA-N

Note

  • Amino acids 4-10 of caerulein in which norleucine replaces methionine in position 8.

Molecular Formula

  • C45-H57-N9-O14-S

Molecular Weight

  • 980.06
 
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Names and Synonyms

Name of Substance

  • Caerulein(4-10), nle(8)-

Synonyms

  • 8-Nle-cer(4-10)
  • 8-Norleucine-ceruletide(4-10)
  • Ceruletide(4-10), 8-norleucine-
  • Nle(8)-ceruletide(4-10)

Systematic Name

  • Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-aspartic acid-8-L-norleucine-

Registry Numbers

CAS Registry Number

  • 25613-79-0

System Generated Number

  • 0025613790

Structure Descriptors

InChI

1S/C45H57N9O14S/c1-3-4-13-33(42(61)53-36(22-38(57)58)44(63)52-34(40(47)59)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-48-32-14-9-8-12-30(28)32)50-37(56)24-49-45(64)39(25(2)55)54-41(60)31(46)19-27-15-17-29(18-16-27)68-69(65,66)67/h5-12,14-18,23,25,31,33-36,39,48,55H,3-4,13,19-22,24,46H2,1-2H3,(H2,47,59)(H,49,64)(H,50,56)(H,51,62)(H,52,63)(H,53,61)(H,54,60)(H,57,58)(H,65,66,67)/t25-,31+,33-,34+,35+,36+,39+/m1/s1

InChIKey

GZCDGEPFXQGWOW-RMNOTBJOSA-N

Smiles

O[C@H](C)[C@@H](C(NCC(N[C@H](C(=O)N[C@@H](C(N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)=O)CCCC)Cc1c[nH]c2ccccc12)=O)=O)NC([C@@H](N)Cc1ccc(cc1)OS(O)(=O)=O)=O