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Substance Name: t-Butyloxycarbonyl-(sulfo-tyr)-met-gly-trp-nle-asp 2-phenylethyl ester
RN: 109525-32-8
InChIKey: XGXRVOPXLWVWCQ-IURJAOHMSA-N

Note

  • Cholecystokinin receptor antagonist.

Molecular Weight

  • 1068.23
 
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Names and Synonyms

Name of Substance

  • t-Butyloxycarbonyl-(sulfo-tyr)-met-gly-trp-nle-asp 2-phenylethyl ester

Synonyms

  • Boc-tsmgtna
  • Boc-tyr(SO3)-met-gly-trp-nle-asp-pee
  • t-Butyloxycarbonyl-(sulfotyrosyl)-methionyl-glycyl-tryptophyl-norleucyl-aspartyl 2-phenylethyl ester

Registry Numbers

CAS Registry Number

  • 109525-32-8

System Generated Number

  • 0109525328

Structure Descriptors

InChI

1S/C50H65N7O15S2/c1-6-7-16-37(45(62)56-41(28-43(59)60)48(65)70-24-22-31-13-9-8-10-14-31)54-47(64)40(27-33-29-51-36-17-12-11-15-35(33)36)53-42(58)30-52-44(61)38(23-25-73-5)55-46(63)39(57-49(66)71-50(2,3)4)26-32-18-20-34(21-19-32)72-74(67,68)69/h8-15,17-21,29,37-41,51H,6-7,16,22-28,30H2,1-5H3,(H,52,61)(H,53,58)(H,54,64)(H,55,63)(H,56,62)(H,57,66)(H,59,60)(H,67,68,69)/t37-,38-,39-,40+,41-/m0/s1

InChIKey

XGXRVOPXLWVWCQ-IURJAOHMSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@H](NC(CNC([C@@H](NC([C@@H](NC(=O)OC(C)(C)C)Cc1ccc(OS(=O)(=O)O)cc1)=O)CCSC)=O)=O)Cc1c[nH]c2ccccc12)=O)CCCC)=O)CC(=O)O)(=O)OCCc1ccccc1