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Substance Name: ACTH amide (1-20), ala(1)-
RN: 51839-37-3
InChIKey: XGICIXAHOHIFBO-ZQGLMYHISA-N

Note

  • Prolonged steroidogenic activity in vivo.

Molecular Formula

  • C111-H174-N36-O24-S

Molecular Weight

  • 2428.8896
 
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Names and Synonyms

Name of Substance

  • ACTH amide (1-20), ala(1)-

Synonyms

  • (1-Alanine)adrenocorticotropin-(1-20)-amide
  • 1-Ala-acth amide (1-20)
  • ACTH - NH2 (1-20), alanine(1)-

Systematic Name

  • alpha1-20-Corticotropin, 1-L-alanine-20-L-valinamide-

Registry Numbers

CAS Registry Number

  • 51839-37-3

System Generated Number

  • 0051839373

Structure Descriptors

InChI

1S/C111H174N36O24S/c1-61(2)89(91(116)154)144-104(167)84-33-21-49-147(84)108(171)78(32-20-47-126-111(121)122)138-96(159)73(30-18-45-124-109(117)118)134-95(158)72(28-13-16-43-113)133-94(157)71(27-12-15-42-112)131-86(150)58-129-106(169)90(62(3)4)145-105(168)85-34-22-48-146(85)107(170)77(29-14-17-44-114)132-87(151)57-128-93(156)81(53-66-55-127-70-26-11-10-25-69(66)70)141-97(160)74(31-19-46-125-110(119)120)135-100(163)80(51-64-23-8-7-9-24-64)140-102(165)82(54-67-56-123-60-130-67)142-98(161)75(39-40-88(152)153)136-99(162)76(41-50-172-6)137-103(166)83(59-148)143-101(164)79(139-92(155)63(5)115)52-65-35-37-68(149)38-36-65/h7-11,23-26,35-38,55-56,60-63,71-85,89-90,127,148-149H,12-22,27-34,39-54,57-59,112-115H2,1-6H3,(H2,116,154)(H,123,130)(H,128,156)(H,129,169)(H,131,150)(H,132,151)(H,133,157)(H,134,158)(H,135,163)(H,136,162)(H,137,166)(H,138,159)(H,139,155)(H,140,165)(H,141,160)(H,142,161)(H,143,164)(H,144,167)(H,145,168)(H,152,153)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-,90-/m0/s1

InChIKey

XGICIXAHOHIFBO-ZQGLMYHISA-N

Smiles

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N7CCC[C@H]7C(=O)N[C@@H](C(C)C)C(=O)N