Endogenous peptide in human, mouse or rat-Aladdin Scientific

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PKI 14-22 amide,myristoylated TFA, Inhibitor of protein kinase A
- ≥98%
Cas#: 201422-03-9 Compound CID: 71312213

Formula: C₅₃H₁₀₀N₂₀O₁₂(free) Molecular Weight: 1209.49(free)

IUPAC Name: (2S)-N-[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(tetradecanoylamino)acetyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]butanediamide

SMILES: CCCCCCCCCCCCCC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)N

InChIKey: GQPQKQWUUHDDIS-JDLJUXOTSA-N

InChI: InChI=1S/C53H100N20O12/c1-6-8-9-10-11-12-13-14-15-16-17-24-39(76)65-29-40(77)69-35(22-19-26-63-52(58)59)48(83)73-43(33(5)74)50(85)66-30-41(78)68-34(21-18-25-62-51(56)57)46(81)70-36(23-20-27-64-53(60)61)47(82)71-37(28-38(54)75)49(84)67-32(4)45(80)72-42(44(55)79)31(3)7-2/h31-37,42-43,74H,6-30H2,1-5H3,(H2,54,75)(H2,55,79)(H,65,76)(H,66,85)(H,67,84)(H,68,78)(H,69,77)(H,70,81)(H,71,82)(H,72,80)(H,73,83)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t31-,32-,33+,34-,35-,36-,37-,42-,43-/m0/s1
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IL-12, Agonist of Interleukin-12 receptor
Synonyms: IL-12 p70
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TRAIL, death receptor 4;Agonist of death receptor 5
Synonyms: Apo-2 ligand (Apo-2L)
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prosaptide, Agonist of GPR37;Agonist of GPR37L1
Cas#: 163658-39-7

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O

InChIKey: KSDDQEGWVBODMD-OULINLAESA-N

InChI: InChI=1S/C116H196N28O37S/c1-17-61(13)91(112(176)137-80(54-88(157)158)107(171)136-79(53-83(123)148)106(170)135-78(52-82(122)147)105(169)126-70(35-25-29-47-120)101(165)143-93(63(15)145)114(178)131-72(37-41-85(151)152)99(163)125-67(32-22-26-44-117)96(160)128-74(39-43-87(155)156)103(167)141-92(62(14)18-2)113(177)138-81(116(180)181)50-58(7)8)142-109(173)76(49-57(5)6)132-98(162)69(34-24-28-46-119)130-115(179)94(64(16)146)144-111(175)90(60(11)12)139-102(166)73(38-42-86(153)154)127-97(161)68(33-23-27-45-118)129-110(174)89(59(9)10)140-108(172)75(48-56(3)4)133-104(168)77(51-65-30-20-19-21-31-65)134-100(164)71(36-40-84(149)150)124-95(159)66(121)55-182/h19-21,30-31,56-64,66-81,89-94,145-146,182H,17-18,22-29,32-55,117-121H2,1-16H3,(H2,122,147)(H2,123,148)(H,124,159)(H,125,163)(H,126,169)(H,127,161)(H,128,160)(H,129,174)(H,130,179)(H,131,178)(H,132,162)(H,133,168)(H,134,164)(H,135,170)(H,136,171)(H,137,176)(H,138,177)(H,139,166)(H,140,172)(H,141,167)(H,142,173)(H,143,165)(H,144,175)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,180,181)/t61-,62-,63+,64+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,89-,90-,91-,92-,93-,94-/m0/s1
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