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[D-Lys3]-GHRP-6

CAT: 0607-B5234-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B5234-5Size:5 mg
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Description
ghrelin receptor antagonist
CAS Number
136054-22-3
Field of Research
GPCR G protein Ghrelin Receptors
Purity
0.9981
Form
White lyophilised solid
Solubility
≥51.1 mg/mL in DMSO; ≥51.8 mg/mL in EtOH; ≥50.7 mg/mL in H2O
Smiles
NCCCC[C@@](/N=C(O)/[C@@](/N=C(O)/[C@](/N=C(O)/[C@@](/N=C(O)/[C@@](/N=C(O)/[C@](N)([H])CC1=CN=CN1)([H])CC2=CNC3=CC=CC=C23)([H])CCCCN)([H])CC4=CNC5=CC=CC=C45)([H])CC6=CC=CC=C6)([H])C(O)=N
Molecular Formula
C49H63N13O6
Molecular Weight
930.12
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CAS Number136054-22-3
PubChem CID5311279
IUPAC Name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular FormulaC49H63N13O6
Molecular Weight930.1
XLogP1.7
Topological Polar Surface Area327
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count10
Rotatable Bond Count27
Heavy Atom Count68
Formal Charge0
Complexity1640
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)N
InChI
InChI=1S/C49H63N13O6/c50-20-10-8-18-39(44(53)63)58-47(66)41(22-30-12-2-1-3-13-30)61-49(68)43(24-32-27-56-38-17-7-5-15-35(32)38)62-46(65)40(19-9-11-21-51)59-48(67)42(23-31-26-55-37-16-6-4-14-34(31)37)60-45(64)36(52)25-33-28-54-29-57-33/h1-7,12-17,26-29,36,39-43,55-56H,8-11,18-25,50-52H2,(H2,53,63)(H,54,57)(H,58,66)(H,59,67)(H,60,64)(H,61,68)(H,62,65)/t36-,39-,40+,41+,42+,43-/m0/s1
InChIKey
MGSNWNLPMHXGDD-DFWOJPNQSA-N
Chemical Structure
2D Structure
2D structure of (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CAS: 136054-22-3
CID: 5311279
Formula: C49H63N13O6
MW: 930.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight930.1
XLogP31.7
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count10
Rotatable Bond Count27
Exact Mass929.50242678
Monoisotopic Mass929.50242678
Topological Polar Surface Area327 Ų
Heavy Atom Count68
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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