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Substance Name: Mastoparan X
RN: 72093-22-2
InChIKey: FYJKBFOGJAVCAL-KCQOFHQJSA-N

Molecular Formula

  • C73-H126-N20-O15-S

Molecular Weight

  • 1555.99
 
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Names and Synonyms

Name of Substance

  • Mastoparan X

Systematic Name

  • Mast cell degranulating peptide (vespula lewisii), 3-L-tryptophan-5-glycine-6-L-isoleucine-9-L-methionine-13-L-leucine-

Registry Numbers

CAS Registry Number

  • 72093-22-2

System Generated Number

  • 0072093222

Structure Descriptors

InChI

1S/C73H126N20O15S/c1-13-41(7)59(78)72(107)92-56(36-57(77)94)71(106)91-55(35-46-37-80-48-24-16-15-23-47(46)48)70(105)87-49(25-17-20-29-74)65(100)81-38-58(95)93-60(42(8)14-2)73(108)84-43(9)62(97)82-44(10)63(98)86-52(28-32-109-12)66(101)83-45(11)64(99)85-50(26-18-21-30-75)67(102)88-51(27-19-22-31-76)68(103)90-54(34-40(5)6)69(104)89-53(61(79)96)33-39(3)4/h15-16,23-24,37,39-45,49-56,59-60,80H,13-14,17-22,25-36,38,74-76,78H2,1-12H3,(H2,77,94)(H2,79,96)(H,81,100)(H,82,97)(H,83,101)(H,84,108)(H,85,99)(H,86,98)(H,87,105)(H,88,102)(H,89,104)(H,90,103)(H,91,106)(H,92,107)(H,93,95)/t41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60?/m0/s1

InChIKey

FYJKBFOGJAVCAL-KCQOFHQJSA-N

Smiles

c1(c2c([nH]c1)cccc2)C[C@@H](C(N[C@H](C(NCC(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(N[C@@H](CC(C)C)C(=O)N)=O)CC(C)C)=O)=O)CCCCN)=O)C)=O)CCSC)=O)C)=O)C)=O)[C@H](CC)C)=O)=O)CCCCN)=O)NC([C@H](CC(=O)N)NC([C@H]([C@H](CC)C)N)=O)=O