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Substance Name: Cholecystokinin (27-33), t-butyloxycarbonyl-
RN: 20987-59-1
InChIKey: BVPSGWGJNXCKLC-VFLIAAMKSA-N

Molecular Formula

  • C50-H65-N9-O15-S3

Molecular Weight

  • 1128.3095
 
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Names and Synonyms

Name of Substance

  • Cholecystokinin (27-33), t-butyloxycarbonyl-

Synonym

  • Boc-cck7

Systematic Name

  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl-L-methionylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-

Registry Numbers

CAS Registry Number

  • 20987-59-1

System Generated Number

  • 0020987591

Structure Descriptors

InChI

1S/C50H65N9O15S3/c1-50(2,3)73-49(69)59-38(23-29-15-17-32(18-16-29)74-77(70,71)72)46(66)55-35(19-21-75-4)44(64)53-28-42(61)54-39(24-31-27-52-34-14-10-9-13-33(31)34)47(67)56-36(20-22-76-5)45(65)58-40(26-43(62)63)48(68)57-37(25-41(51)60)30-11-7-6-8-12-30/h6-18,27,35-40,52H,19-26,28H2,1-5H3,(H2,51,60)(H,53,64)(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,65)(H,59,69)(H,62,63)(H,70,71,72)/t35-,36+,37+,38-,39-,40-/m0/s1

InChIKey

BVPSGWGJNXCKLC-VFLIAAMKSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OS(=O)(=O)O)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)N)c4ccccc4