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CRF (6-33) (human) 5mg

CAT: 0628-A23440-5Size: 5 mgDry Ice: NoHazardous: No
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CAS Number
120066-38-8

Chemical Information

Crf (6-33) (human, rat)
CAS Number120066-38-8
PubChem CID71308685
IUPAC Name(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC141H231N41O43S
Molecular Weight3220.7
XLogP-8.1
Topological Polar Surface Area1390
Hydrogen Bond Donor Count47
Hydrogen Bond Acceptor Count49
Rotatable Bond Count112
Heavy Atom Count226
Formal Charge0
Complexity7420
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CO)C(=O)O)N
InChI
InChI=1S/C141H231N41O43S/c1-23-72(16)109(145)136(221)179-100(61-183)135(220)174-93(52-68(8)9)129(214)176-99(58-108(195)196)133(218)173-95(54-70(12)13)134(219)182-111(77(21)185)138(223)178-96(55-78-29-25-24-26-30-78)130(215)175-98(57-80-60-151-64-155-80)131(216)172-92(51-67(6)7)128(213)171-91(50-66(4)5)126(211)163-82(32-28-47-153-141(148)149)119(204)166-88(38-44-107(193)194)124(209)181-110(71(14)15)137(222)177-94(53-69(10)11)127(212)167-87(37-43-106(191)192)122(207)168-89(45-48-226-22)118(203)158-73(17)112(197)160-81(31-27-46-152-140(146)147)116(201)156-74(18)113(198)162-86(36-42-105(189)190)121(206)165-85(35-41-104(144)188)123(208)170-90(49-65(2)3)125(210)159-75(19)114(199)161-84(34-40-103(143)187)120(205)164-83(33-39-102(142)186)117(202)157-76(20)115(200)169-97(56-79-59-150-63-154-79)132(217)180-101(62-184)139(224)225/h24-26,29-30,59-60,63-77,81-101,109-111,183-185H,23,27-28,31-58,61-62,145H2,1-22H3,(H2,142,186)(H2,143,187)(H2,144,188)(H,150,154)(H,151,155)(H,156,201)(H,157,202)(H,158,203)(H,159,210)(H,160,197)(H,161,199)(H,162,198)(H,163,211)(H,164,205)(H,165,206)(H,166,204)(H,167,212)(H,168,207)(H,169,200)(H,170,208)(H,171,213)(H,172,216)(H,173,218)(H,174,220)(H,175,215)(H,176,214)(H,177,222)(H,178,223)(H,179,221)(H,180,217)(H,181,209)(H,182,219)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,224,225)(H4,146,147,152)(H4,148,149,153)/t72-,73-,74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-,110-,111-/m0/s1
InChIKey
XHHPINGDTRCKNN-QZXFXOMNSA-N
Chemical Structure
2D Structure
2D structure of Crf (6-33) (human, rat)
CAS: 120066-38-8
CID: 71308685
Formula: C141H231N41O43S
MW: 3220.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3220.7
XLogP3-8.1
Hydrogen Bond Donor Count47
Hydrogen Bond Acceptor Count49
Rotatable Bond Count112
Exact Mass3219.6903712
Monoisotopic Mass3218.6870163
Topological Polar Surface Area1390 Ų
Heavy Atom Count226
Formal Charge0
Complexity7420
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-P1297-01CRF (6-33) (human)
MBS3848020-01CRF (6-33)(human)
H-3456.1000CRF (6-33) (human, rat)
T75893-01CRF (6-33) (human) TFA
HY-P1297ACRF (6-33) (human) (TFA)
MBS5817798CRF (6-33)(human) TFA
E-PP-1003-01CRF (6-33), human, rat
GTR18890667Human, Rat CRF (6-33) peptide
069-02Cholecystokinin-33 (CCK-33) (Human)
RC212-44IL-33, Interleukin-33, human

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