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[Dmt1]DALDA

CAT: 0931-TP3815-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3815-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
255861-98-4
Target
Opioid Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Endocrinology/Hormones
Bioactivity
[Dmt1]DALDA is a potent and long-lasting analgesic that interacts with the μ-opioid receptor (mu-opioid receptor), exhibiting high affinity and selectivity. It acts as a full agonist for hMOR (Kd= 0.199 nM) and hDOR, yet only serves as a partial agonist for hKOR.
Smiles
[C@@H](CC1=CC=CC=C1)(NC([C@H](NC([C@H](CC2=C(C)C=C(O)C=C2C)N)=O)CCCNC(=N)N)=O)C(N[C@@H](CCCCN)C(N)=O)=O
Molecular Formula
C32H49N9O5
Molecular Weight
639.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CAS Number255861-98-4
PubChem CID9809562
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular FormulaC32H49N9O5
Molecular Weight639.8
XLogP-0.1
Topological Polar Surface Area267
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count46
Formal Charge0
Complexity990
SMILES
CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N)N)C)O
InChI
InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1
InChIKey
FIAKHZXVLBNZLW-NFGXINMFSA-N
Chemical Structure
2D Structure
2D structure of (2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
CAS: 255861-98-4
CID: 9809562
Formula: C32H49N9O5
MW: 639.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.8
XLogP3-0.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass639.38566570
Monoisotopic Mass639.38566570
Topological Polar Surface Area267 Ų
Heavy Atom Count46
Formal Charge0
Complexity990
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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