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Substance Name: beta-corticotropin (1-19)-nonadecapeptide, Ser(1)-Lys(17,18)-
RN: 47930-61-0
InChIKey: XGURHROPPGKSOF-UVRTXFARSA-N

Note

  • Potent histamine liberator with 10x activity of 48/80.

Molecular Formula

  • C106-H164-N30-O25-S

Molecular Weight

  • 2290.7126
 
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Names and Synonyms

Name of Substance

  • beta-Corticotropin (1-19)-nonadecapeptide, ser(1)-lys(17,18)-

Synonyms

  • 1-Ser-17,18-lys-beta-corticotropin (1-19)-nonadecapeptide
  • Ba-44680
  • beta-Corticotropin (1-19) nonadecapeptide, seryl(1)-lysine(17,18)-
  • beta-Corticotropin (1-19)-nonadecapeptide, ser(1)-lys(17,18)-

Systematic Name

  • alpha1-19-Corticotropin, 1-D-serine-17-L-lysine-18-L-lysine-

Registry Numbers

CAS Registry Number

  • 47930-61-0

System Generated Number

  • 0047930610

Structure Descriptors

InChI

1S/C106H164N30O25S/c1-61(2)88(102(157)119-57-85(140)121-70(26-9-14-41-107)91(146)123-71(27-10-15-42-108)92(147)124-72(28-11-16-43-109)93(148)128-77(30-13-18-45-111)104(159)136-48-21-33-84(136)105(160)161)134-101(156)83-32-20-47-135(83)103(158)76(29-12-17-44-110)122-86(141)56-118-90(145)80(52-64-54-117-69-25-8-7-24-67(64)69)131-94(149)73(31-19-46-116-106(113)114)125-97(152)79(50-62-22-5-4-6-23-62)130-99(154)81(53-65-55-115-60-120-65)132-95(150)74(38-39-87(142)143)126-96(151)75(40-49-162-3)127-100(155)82(59-138)133-98(153)78(129-89(144)68(112)58-137)51-63-34-36-66(139)37-35-63/h4-8,22-25,34-37,54-55,60-61,68,70-84,88,117,137-139H,9-21,26-33,38-53,56-59,107-112H2,1-3H3,(H,115,120)(H,118,145)(H,119,157)(H,121,140)(H,122,141)(H,123,146)(H,124,147)(H,125,152)(H,126,151)(H,127,155)(H,128,148)(H,129,144)(H,130,154)(H,131,149)(H,132,150)(H,133,153)(H,134,156)(H,142,143)(H,160,161)(H4,113,114,116)/t68-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,88+/m1/s1

InChIKey

XGURHROPPGKSOF-UVRTXFARSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N7CCC[C@H]7C(=O)O