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Detoxin D1

CAT: 0931-T25314-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T25314-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37878-19-6
Target
Others
Related Pathways
Others
Bioactivity
Detoxin D1 is a selective blasticidin S antagonist.
Smiles
C(OC(C(CC1=CC=CC=C1)NC(C(CC)C)=O)=O)(CC(O)=O)C2N(C(C(C(C)C)N)=O)CCC2OC(C)=O
Molecular Formula
C28H41N3O8
Molecular Weight
547.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Detoxin D1

Detoxin D1 is a peptide.

CAS Number37878-19-6
PubChem CID10482602
IUPAC Name(3S)-3-[(3R)-3-acetyloxy-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-3-[2-[[(2S)-2-methylbutanoyl]amino]-3-phenylpropanoyl]oxypropanoic acid
Molecular FormulaC28H41N3O8
Molecular Weight547.6
XLogP0.2
Topological Polar Surface Area165
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Heavy Atom Count39
Formal Charge0
Complexity873
SMILES
CC[C@H](C)C(=O)NC(CC1=CC=CC=C1)C(=O)O[C@@H](CC(=O)O)C2[C@@H](CCN2C(=O)[C@H](C(C)C)N)OC(=O)C
InChI
InChI=1S/C28H41N3O8/c1-6-17(4)26(35)30-20(14-19-10-8-7-9-11-19)28(37)39-22(15-23(33)34)25-21(38-18(5)32)12-13-31(25)27(36)24(29)16(2)3/h7-11,16-17,20-22,24-25H,6,12-15,29H2,1-5H3,(H,30,35)(H,33,34)/t17-,20?,21+,22-,24-,25?/m0/s1
InChIKey
GOZDOQQVOQTNBQ-MJMBSILGSA-N
Chemical Structure
2D Structure
2D structure of Detoxin D1
CAS: 37878-19-6
CID: 10482602
Formula: C28H41N3O8
MW: 547.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.6
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count15
Exact Mass547.28936527
Monoisotopic Mass547.28936527
Topological Polar Surface Area165 Ų
Heavy Atom Count39
Formal Charge0
Complexity873
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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