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Dov-Val-Dil-OH

CAT: 0804-HY-79258-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-79258-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dov-Val-Dil-OH is an ADC cytotoxin.
CAS Number
133120-89-5
UNSPSC
12352211
Hazard Statement
H302-H315-H319
Target
ADC Payload
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dov-val-dil-oh.html
Smiles
OC(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](N(C)C)C(C)C)=O)=O)=O
Molecular Formula
C22H43N3O5
Molecular Weight
429.59
Precautions
P264-P270-P280-P302+P352-P330-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(3R,4S,5S)-4-((S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoic acid
CAS Number133120-89-5
PubChem CID10812513
IUPAC Name(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid
Molecular FormulaC22H43N3O5
Molecular Weight429.6
XLogP0.8
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count30
Formal Charge0
Complexity565
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C
InChI
InChI=1S/C22H43N3O5/c1-11-15(6)20(16(30-10)12-17(26)27)25(9)22(29)18(13(2)3)23-21(28)19(14(4)5)24(7)8/h13-16,18-20H,11-12H2,1-10H3,(H,23,28)(H,26,27)/t15-,16+,18-,19-,20-/m0/s1
InChIKey
RHYYEUIJXQMEBX-DLRXZHIHSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S,5S)-4-((S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoic acid
CAS: 133120-89-5
CID: 10812513
Formula: C22H43N3O5
MW: 429.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.6
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass429.32027148
Monoisotopic Mass429.32027148
Topological Polar Surface Area99.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T89511-01Dov-Val-Dil-OH
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