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Substance Name: Alsactide acetate
RN: 33194-27-3
UNII: KY2I3D99GG
InChIKey: CRGDPRQFOKFIRD-MVQNXGECSA-N

Molecular Formula

  • C99-H155-N29-O21-S.C2-H4-O2

Molecular Weight

  • 2179.5887
 
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Names and Synonyms

Name of Substance

  • Alsactide acetate

Synonyms

  • 1-beta-Alanine-17-(N-(4-aminobutyl)-L-lysinamide)-alpha1-17-corticotropin, acetate (salt)
  • alpha1-17-Corticotropin, 1-beta-alanine-17-(L-2,6-diamino-N-(4-aminobutyl)hexanamide)-, acetate (salt)
  • Alsactide acetate
  • Alsactide acetate [MI]
  • UNII-KY2I3D99GG

Registry Numbers

CAS Registry Number

  • 33194-27-3

FDA UNII

  • KY2I3D99GG

System Generated Number

  • 0033194273

Structure Descriptors

InChI

1S/C99H155N29O21S.C2H4O2/c1-59(2)84(97(148)113-56-81(132)115-68(26-10-14-40-101)87(138)119-69(27-11-15-41-102)88(139)118-67(25-9-13-39-100)85(136)109-45-18-17-43-104)127-96(147)79-30-20-47-128(79)98(149)73(28-12-16-42-103)116-82(133)55-112-86(137)76(51-62-53-111-66-24-8-7-23-65(62)66)124-89(140)70(29-19-46-110-99(106)107)120-93(144)75(49-60-21-5-4-6-22-60)123-94(145)77(52-63-54-108-58-114-63)125-90(141)71(35-36-83(134)135)121-91(142)72(38-48-150-3)122-95(146)78(57-129)126-92(143)74(117-80(131)37-44-105)50-61-31-33-64(130)34-32-61;1-2(3)4/h4-8,21-24,31-34,53-54,58-59,67-79,84,111,129-130H,9-20,25-30,35-52,55-57,100-105H2,1-3H3,(H,108,114)(H,109,136)(H,112,137)(H,113,148)(H,115,132)(H,116,133)(H,117,131)(H,118,139)(H,119,138)(H,120,144)(H,121,142)(H,122,146)(H,123,145)(H,124,140)(H,125,141)(H,126,143)(H,127,147)(H,134,135)(H4,106,107,110);1H3,(H,3,4)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-;/m0./s1

InChIKey

CRGDPRQFOKFIRD-MVQNXGECSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)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)NCCCCN.CC(=O)O