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Substance Name: BC 197
RN: 115295-08-4
InChIKey: KUPOETRFWZHGEM-LAZFATJSSA-N

Molecular Formula

  • C60-H81-N11-O17-S

Molecular Weight

  • 1260.4259
 
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Names and Synonyms

Name of Substance

  • BC 197

Synonyms

  • BC-197
  • Boc-asp-tyr(SO3H)-ahx-lys-trp-ahx-asp-phe-NH2
  • Boc-asp-tyr(SO3H)-nle-lys-trp-nle-asp-phe-NH2
  • Boc-aspartyl-tyrosyl(SO3H)-norelucyl-lysyl-tryptophyl-norleucyl-aspartyl-phenylalaninamide

Systematic Names

  • L-Phenylalaninamide, N- ((1,1-dimethylethoxy)carbonyl)-D-alpha-aspartyl-O-sulfo-L-tyrosyl-L-norleucyl-D-lysyl-L-tryptophyl-L-norleucyl-L-alpha-aspartyl-, cyclic (1-4)-peptide
  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-D-alpha-aspartyl-O-sulfo-L-tyrosyl-L-norleucyl-D-lysyl-L-tryptophyl-L-norleucyl-L-alpha-aspartyl-, cyclic (1-4)-peptide

Registry Numbers

CAS Registry Number

  • 115295-08-4

System Generated Number

  • 0115295084

Structure Descriptors

InChI

1S/C60H81N11O17S/c1-6-8-19-39(65-52(76)42(62)29-37-24-26-40(72)27-25-37)35-64-44(23-15-16-28-61)53(77)68-47(31-38-34-63-43-22-14-13-20-41(38)43)55(79)66-45(21-9-7-2)54(78)69-49(33-51(75)88-89(84,85)86)56(80)67-46(30-36-17-11-10-12-18-36)57(81)71-58(82)48(32-50(73)74)70-59(83)87-60(3,4)5/h6,8,10-14,17-20,22,24-27,34,39,42,44-49,63-64,72H,1,7,9,15-16,21,23,28-33,35,61-62H2,2-5H3,(H,65,76)(H,66,79)(H,67,80)(H,68,77)(H,69,78)(H,70,83)(H,73,74)(H,71,81,82)(H,84,85,86)/b19-8+/t39-,42-,44+,45-,46-,47-,48+,49-/m0/s1

InChIKey

KUPOETRFWZHGEM-LAZFATJSSA-N

Smiles

CCCC[C@@H](C(=O)N[C@@H](CC(=O)OS(=O)(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@@H](CCCCN)NC[C@H](/C=C/C=C)NC(=O)[C@H](Cc4ccc(cc4)O)N