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Substance Name: Pbc 264
RN: 125236-85-3
InChIKey: VNNMDTHCFFZSSJ-LWSGDBLMSA-N

Note

  • CCK agonist.

Molecular Formula

  • C51-H62-N9-O14-S-T5

Molecular Weight

  • 1072.2458
 
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Names and Synonyms

Name of Substance

  • PBC 264

Synonym

  • 2,3-Propionyl-tyr(SO3H)-gnle-mgly-trp-(Me)nle-asp-phenh2

Systematic Name

  • L-Phenylalaninamide, 3-oxo-N-(1-((1-oxo-2-((1-oxopropyl-2,2,3,3,3-t5)amino)-3-(4-(sulfooxy)phenyl)propyl)amino)pentyl)-beta-alanyl-L-tryptophyl-N-methyl-L-norleucyl-L-alpha-aspartyl-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 125236-85-3

System Generated Number

  • 0125236853

Structure Descriptors

InChI

1S/C51H67N9O14S/c1-5-8-18-37(52-4)46(65)57-41(28-45(63)64)47(66)56-39(25-31-15-11-10-12-16-31)49(68)60-50(69)40(27-33-29-53-36-19-14-13-17-35(33)36)58-51(70)42(61)30-54-43(20-9-6-2)59-48(67)38(55-44(62)7-3)26-32-21-23-34(24-22-32)74-75(71,72)73/h10-17,19,21-24,29,37-41,43,52-54H,5-9,18,20,25-28,30H2,1-4H3,(H,55,62)(H,56,66)(H,57,65)(H,58,70)(H,59,67)(H,63,64)(H,60,68,69)(H,71,72,73)/t37-,38-,39-,40-,41-,43-/m0/s1/i3T3,7T2

InChIKey

VNNMDTHCFFZSSJ-LWSGDBLMSA-N

Smiles

[3H]C([3H])([3H])C([3H])([3H])C(=O)N[C@@H](Cc1ccc(cc1)OS(=O)(=O)O)C(=O)N[C@@H](CCCC)NCC(=O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)NC