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Galanin (2-11) amide

CAT: 0121-4047489.1000Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0121-4047489.1000Size:1 mg
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CAS Number
367518-31-8
Specifications
H-7582.1000
Synonyms
AR-M 1896
Sequence
H-Trp-Thr-Leu-Asn-Ser-Ala-Gly-Tyr-Leu-Leu-NH₂
Molecular Formula
C₅₄H₈₁N₁₃O₁₄
Molecular Weight
1136.30
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Wtlnsagyll-conh2
CAS Number367518-31-8
PubChem CID6324638
IUPAC Name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide
Molecular FormulaC54H81N13O14
Molecular Weight1136.3
XLogP-0.3
Topological Polar Surface Area451
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Heavy Atom Count81
Formal Charge0
Complexity2160
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N)O
InChI
InChI=1S/C54H81N13O14/c1-26(2)17-37(46(57)73)62-49(76)38(18-27(3)4)63-51(78)40(20-31-13-15-33(70)16-14-31)61-44(72)24-59-47(74)29(7)60-53(80)42(25-68)66-52(79)41(22-43(56)71)64-50(77)39(19-28(5)6)65-54(81)45(30(8)69)67-48(75)35(55)21-32-23-58-36-12-10-9-11-34(32)36/h9-16,23,26-30,35,37-42,45,58,68-70H,17-22,24-25,55H2,1-8H3,(H2,56,71)(H2,57,73)(H,59,74)(H,60,80)(H,61,72)(H,62,76)(H,63,78)(H,64,77)(H,65,81)(H,66,79)(H,67,75)/t29-,30+,35-,37-,38-,39-,40-,41-,42-,45-/m0/s1
InChIKey
SUJPPMXJCZETOA-ZKEPBWIVSA-N
Chemical Structure
2D Structure
2D structure of Wtlnsagyll-conh2
CAS: 367518-31-8
CID: 6324638
Formula: C54H81N13O14
MW: 1136.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1136.3
XLogP3-0.3
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Exact Mass1135.60259431
Monoisotopic Mass1135.60259431
Topological Polar Surface Area451 Ų
Heavy Atom Count81
Formal Charge0
Complexity2160
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS658872-01Galanin (1-13)-Bradykinin (2-9) amide
MBS5798849Galanin (2-11) amide (human, mouse, rat, porcine, bovine, ovine)(trifluoroacetate salt)
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