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Substance Name: pBC 264
RN: 131167-65-2
InChIKey: VNNMDTHCFFZSSJ-HWQWZYBXSA-N

Molecular Formula

  • C51-H67-N9-O14-S

Molecular Weight

  • 1062.21
 
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Names and Synonyms

Results Name

  • PBC 264

Synonyms

  • pBC-264
  • pBC264

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 131167-65-2

System Generated Number

  • 0131167652

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

InChIKey

VNNMDTHCFFZSSJ-HWQWZYBXSA-N

Smiles

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