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Substance Name: Cosyntropin, 7-metrp(9)-
RN: 33815-02-0
InChIKey: PPGAIKWPROAFCQ-UYVMFJLLSA-N

Molecular Formula

  • C137-H212-N40-O31-S

Molecular Weight

  • 2947.4968
 
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Names and Synonyms

Name of Substance

  • Cosyntropin, 7-metrp(9)-

Synonyms

  • 7-Me-trp(9)-cosyntropin
  • 7-Methyltryptophan(9)-beta-corticotropin(1-24)
  • 7-Methyltryptophan(9)-cosyntropin
  • Cosyntropin, 7-methyltryptophan(9)-

Systematic Name

  • alpha1-24-Corticotropin, 9-(N-methyl-L-tryptophan)-

Registry Numbers

CAS Registry Number

  • 33815-02-0

System Generated Number

  • 0033815020

Structure Descriptors

InChI

1S/C137H212N40O31S/c1-76(2)110(128(201)154-71-107(182)156-88(31-14-18-53-138)115(188)158-89(32-15-19-54-139)116(189)159-91(35-22-57-150-135(143)144)117(190)164-96(37-24-59-152-137(147)148)132(205)176-61-26-40-105(176)127(200)173-112(78(5)6)129(202)163-90(33-16-20-55-140)121(194)171-111(77(3)4)130(203)169-101(66-81-44-48-85(181)49-45-81)133(206)177-62-27-41-106(177)134(207)208)172-126(199)104-39-25-60-175(104)131(204)95(34-17-21-56-141)157-108(183)70-153-114(187)99(67-82-72-174(7)103-38-13-12-30-86(82)103)167-118(191)92(36-23-58-151-136(145)146)160-122(195)98(64-79-28-10-9-11-29-79)166-124(197)100(68-83-69-149-75-155-83)168-119(192)93(50-51-109(184)185)161-120(193)94(52-63-209-8)162-125(198)102(74-179)170-123(196)97(165-113(186)87(142)73-178)65-80-42-46-84(180)47-43-80/h9-13,28-30,38,42-49,69,72,75-78,87-102,104-106,110-112,178-181H,14-27,31-37,39-41,50-68,70-71,73-74,138-142H2,1-8H3,(H,149,155)(H,153,187)(H,154,201)(H,156,182)(H,157,183)(H,158,188)(H,159,189)(H,160,195)(H,161,193)(H,162,198)(H,163,202)(H,164,190)(H,165,186)(H,166,197)(H,167,191)(H,168,192)(H,169,203)(H,170,196)(H,171,194)(H,172,199)(H,173,200)(H,184,185)(H,207,208)(H4,143,144,150)(H4,145,146,151)(H4,147,148,152)/t87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,104-,105-,106-,110-,111-,112-/m0/s1

InChIKey

PPGAIKWPROAFCQ-UYVMFJLLSA-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](Cc4cn(C)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[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc8ccc(O)cc8)C(=O)N9CCC[C@H]9C(=O)O