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Substance Name: ACTH, biotinyl-
RN: 61125-54-0
InChIKey: TZJXNGPMEFMVGA-UHFFFAOYSA-N

Molecular Formula

  • C152-H237-N45-O33-S2

Molecular Weight

  • 3286.96
 
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Names and Synonyms

Name of Substance

  • ACTH, biotinyl-

Synonyms

  • Biotinyl-acth
  • Biotinylcorticotropin

Systematic Names

  • alpha1-25-Corticotropin (pig), 25-(N6-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-lysinamide), (3aS-(3aalpha,4beta,6aalpha))-
  • alpha1-25-Corticotropin (swine), 25-(N6-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-lysinamide), (3aS-(3aalpha,4beta,6aalpha))-
  • alpha1-25-Corticotropin, 25-(N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-lysinamide)-, (3aS-(3aalpha,4beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 61125-54-0

System Generated Number

  • 0061125540

Structure Descriptors

InChI

1S/C152H237N45O33S2/c1-84(2)122(192-141(222)115-44-29-67-195(115)146(227)105(39-18-23-62-156)175-120(204)78-171-128(209)109(74-90-76-170-96-34-12-11-33-94(90)96)186-132(213)102(41-26-65-168-150(161)162)179-136(217)108(71-87-31-9-8-10-32-87)185-138(219)110(75-91-77-165-83-173-91)187-133(214)103(56-57-121(205)206)180-134(215)104(58-70-231-7)181-139(220)112(81-199)189-137(218)107(184-127(208)95(157)80-198)72-88-48-52-92(200)53-49-88)143(224)172-79-119(203)174-98(36-15-20-59-153)129(210)177-99(37-16-21-60-154)130(211)178-101(40-25-64-167-149(159)160)131(212)183-106(42-27-66-169-151(163)164)147(228)196-68-30-45-116(196)142(223)193-124(86(5)6)144(225)182-100(38-17-22-61-155)135(216)191-123(85(3)4)145(226)188-111(73-89-50-54-93(201)55-51-89)148(229)197-69-28-43-114(197)140(221)176-97(126(158)207)35-19-24-63-166-118(202)47-14-13-46-117-125-113(82-232-117)190-152(230)194-125/h8-12,31-34,48-55,76-77,83-86,95,97-117,122-125,170,198-201H,13-30,35-47,56-75,78-82,153-157H2,1-7H3,(H2,158,207)(H,165,173)(H,166,202)(H,171,209)(H,172,224)(H,174,203)(H,175,204)(H,176,221)(H,177,210)(H,178,211)(H,179,217)(H,180,215)(H,181,220)(H,182,225)(H,183,212)(H,184,208)(H,185,219)(H,186,213)(H,187,214)(H,188,226)(H,189,218)(H,191,216)(H,192,222)(H,193,223)(H,205,206)(H4,159,160,167)(H4,161,162,168)(H4,163,164,169)(H2,190,194,230)

InChIKey

TZJXNGPMEFMVGA-UHFFFAOYSA-N

Smiles

N(C([C@@H](NC(CNC([C@@H](NC([C@@H]1CCCN1C([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](Cc1ccc(cc1)O)NC([C@@H](CO)N)=O)=O)CO)=O)CCSC)=O)CCC(=O)O)=O)Cc1[nH]cnc1)=O)Cc1ccccc1)=O)CCCNC(N)=N)=O)Cc1c[nH]c2c1cccc2)=O)=O)CCCCN)=O)=O)C(C)C)=O)=O)CCCCN)=O)[C@@H](C(N[C@@H](C(N[C@@H](C(N1[C@@H](CCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(N1CCC[C@@H]1C(N[C@@H](C(N)=O)CCCCNC(=O)CCCC[C@@H]1[C@@H]2[C@@H](CS1)NC(N2)=O)=O)=O)Cc1ccc(O)cc1)=O)CCCNC(N)=N)=O)CCCNC(=N)N)=O)CCCCN