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Substance Name: Cerulein 7
RN: 20994-86-9
InChIKey: SOFCPCAYNWWFGV-VSBHASARSA-N

Note

  • Identical to CCK-7, except that methionine is replaced by threonine at position 2.

Molecular Formula

  • C44-H55-N9-O14-S2

Molecular Weight

  • 998.0995
 
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Names and Synonyms

Name of Substance

  • Cerulein 7

Synonym

  • Caerulein-7

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 20994-86-9

System Generated Number

  • 0020994869

Structure Descriptors

InChI

1S/C44H55N9O14S2/c1-24(54)38(53-40(59)30(45)18-26-12-14-28(15-13-26)67-69(64,65)66)44(63)48-23-36(55)49-34(20-27-22-47-31-11-7-6-10-29(27)31)42(61)50-32(16-17-68-2)41(60)52-35(21-37(56)57)43(62)51-33(39(46)58)19-25-8-4-3-5-9-25/h3-15,22,24,30,32-35,38,47,54H,16-21,23,45H2,1-2H3,(H2,46,58)(H,48,63)(H,49,55)(H,50,61)(H,51,62)(H,52,60)(H,53,59)(H,56,57)(H,64,65,66)/t24-,30+,32+,33+,34+,35+,38+/m1/s1

InChIKey

SOFCPCAYNWWFGV-VSBHASARSA-N

Smiles

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)NC(=O)[C@H](Cc4ccc(cc4)OS(=O)(=O)O)N)O