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Exendin-4 (1-8)

CAT: 0121-4051740.0001Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0121-4051740.0001Size:1 mg
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CAS Number
1802078-29-0
Specifications
H-6454.0001
Sequence
H-His-Gly-Glu-Gly-Thr-Phe-Thr-Ser-NH₂
Molecular Formula
C₃₅H₅₁N₁₁O₁₃
Molecular Weight
833.86
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Exendin-4 (1-8) Trifluoroacetate
CAS Number1802078-29-0
PubChem CID145707788
IUPAC Name(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC37H52F3N11O15
Molecular Weight947.9
Topological Polar Surface Area437
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count20
Rotatable Bond Count25
Heavy Atom Count66
Formal Charge0
Complexity1570
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC2=CN=CN2)N)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C35H51N11O13.C2HF3O2/c1-17(48)28(34(58)43-23(10-19-6-4-3-5-7-19)33(57)46-29(18(2)49)35(59)44-24(15-47)30(37)54)45-26(51)14-40-32(56)22(8-9-27(52)53)42-25(50)13-39-31(55)21(36)11-20-12-38-16-41-20;3-2(4,5)1(6)7/h3-7,12,16-18,21-24,28-29,47-49H,8-11,13-15,36H2,1-2H3,(H2,37,54)(H,38,41)(H,39,55)(H,40,56)(H,42,50)(H,43,58)(H,44,59)(H,45,51)(H,46,57)(H,52,53);(H,6,7)/t17-,18-,21+,22+,23+,24+,28+,29+;/m1./s1
InChIKey
CQSKABUXHULMOB-LCGDSFTFSA-N
Chemical Structure
2D Structure
2D structure of Exendin-4 (1-8) Trifluoroacetate
CAS: 1802078-29-0
CID: 145707788
Formula: C37H52F3N11O15
MW: 947.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight947.9
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count20
Rotatable Bond Count25
Exact Mass947.35964448
Monoisotopic Mass947.35964448
Topological Polar Surface Area437 Ų
Heavy Atom Count66
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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