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Amylin (8-37) (human)

CAT: 0121-4030202.1000Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0121-4030202.1000Size:1 mg
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CAS Number
135702-23-7
Specifications
H-2742.1000
Sequence
H-Ala-Thr-Gln-Arg-Leu-Ala-Asn-Phe-Leu-Val-His-Ser-Ser-Asn-Asn-Phe-Gly-Ala-Ile-Leu-Ser-Ser-Thr-Asn-Val-Gly-Ser-Asn-Thr-Tyr-NH₂
Molecular Formula
C₁₃₈H₂₁₆N₄₂O₄₅
Molecular Weight
3183.49
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Amylin (8-37) (human)
CAS Number135702-23-7
PubChem CID90469843
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]pentanediamide
Molecular FormulaC138H216N42O45
Molecular Weight3183.4
XLogP-14.8
Topological Polar Surface Area1440
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count48
Rotatable Bond Count103
Heavy Atom Count225
Formal Charge0
Complexity7470
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N
InChI
InChI=1S/C138H216N42O45/c1-19-65(12)106(134(222)168-81(40-61(4)5)118(206)171-93(56-183)130(218)174-95(58-185)131(219)180-109(71(18)188)137(225)170-90(50-101(145)195)125(213)175-104(63(8)9)132(220)152-53-103(197)156-91(54-181)127(215)167-89(49-100(144)194)126(214)179-108(70(17)187)136(224)159-79(110(146)198)42-74-32-34-76(189)35-33-74)177-113(201)67(14)154-102(196)52-151-114(202)83(43-72-27-22-20-23-28-72)163-122(210)87(47-98(142)192)165-123(211)88(48-99(143)193)166-128(216)92(55-182)173-129(217)94(57-184)172-120(208)85(45-75-51-149-59-153-75)169-133(221)105(64(10)11)176-124(212)82(41-62(6)7)162-119(207)84(44-73-29-24-21-25-30-73)164-121(209)86(46-97(141)191)160-112(200)68(15)155-117(205)80(39-60(2)3)161-115(203)77(31-26-38-150-138(147)148)157-116(204)78(36-37-96(140)190)158-135(223)107(69(16)186)178-111(199)66(13)139/h20-25,27-30,32-35,51,59-71,77-95,104-109,181-189H,19,26,31,36-50,52-58,139H2,1-18H3,(H2,140,190)(H2,141,191)(H2,142,192)(H2,143,193)(H2,144,194)(H2,145,195)(H2,146,198)(H,149,153)(H,151,202)(H,152,220)(H,154,196)(H,155,205)(H,156,197)(H,157,204)(H,158,223)(H,159,224)(H,160,200)(H,161,203)(H,162,207)(H,163,210)(H,164,209)(H,165,211)(H,166,216)(H,167,215)(H,168,222)(H,169,221)(H,170,225)(H,171,206)(H,172,208)(H,173,217)(H,174,218)(H,175,213)(H,176,212)(H,177,201)(H,178,199)(H,179,214)(H,180,219)(H4,147,148,150)/t65-,66-,67-,68-,69+,70+,71+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,104-,105-,106-,107-,108-,109-/m0/s1
InChIKey
OBFZUAVBRVNJDZ-AWNVCVQVSA-N
Chemical Structure
2D Structure
2D structure of Amylin (8-37) (human)
CAS: 135702-23-7
CID: 90469843
Formula: C138H216N42O45
MW: 3183.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3183.4
XLogP3-14.8
Hydrogen Bond Donor Count50
Hydrogen Bond Acceptor Count48
Rotatable Bond Count103
Exact Mass3182.5938278
Monoisotopic Mass3181.5904729
Topological Polar Surface Area1440 Ų
Heavy Atom Count225
Formal Charge0
Complexity7470
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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