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Mc-Val-Cit-PABC-PNP

CAT: 0013-GTR19162997-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162997-01Size:200 mg
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Description
A cathepsin cleavable ADC peptide linker.
CAS Number
159857-81-5
Product Name Alternative
Maleimidocaproyl-L-valine-L-citrulline-p-aminobenzyl alcohol p-nitrophenyl carbonate
Field of Research
Signal Transduction
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 37 mg/mL
Smiles
CC (C) C (C (=O) NC (CCCNC (=O) N) C (=O) NC1=CC=C (C=C1) COC (=O) OC2=CC=C (C=C2) [N+] (=O) [O-]) NC (=O) CCCCCN3C (=O) C=CC3=O
Molecular Formula
C35H43N7O11
Molecular Weight
737.7562
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
L-Ornithinamide, N-[6- (2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl) -1-oxohexyl]-L-valyl-N5- (aminocarbonyl) -N-[4-[[[ (4-nitrophenoxy) carbonyl]oxy]methyl]phenyl]-

Chemical Information

N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)-L-ornithinamide
CAS Number159857-81-5
PubChem CID57587849
IUPAC Name[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
Molecular FormulaC35H43N7O11
Molecular Weight737.8
XLogP2.4
Topological Polar Surface Area261
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Heavy Atom Count53
Formal Charge0
Complexity1320
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C=CC3=O
InChI
InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1
InChIKey
HYSPJPGXSALJRR-DHIFEGFHSA-N
Chemical Structure
2D Structure
2D structure of N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-((((4-nitrophenoxy)carbonyl)oxy)methyl)phenyl)-L-ornithinamide
CAS: 159857-81-5
CID: 57587849
Formula: C35H43N7O11
MW: 737.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight737.8
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Exact Mass737.30205521
Monoisotopic Mass737.30205521
Topological Polar Surface Area261 Ų
Heavy Atom Count53
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FM160946-01Mc-Val-Cit-PABC-PNP
A15766-500Mc-Val-Cit-PABC-PNP 500mg
A15766-250Mc-Val-Cit-PABC-PNP 250mg
A15766-100Mc-Val-Cit-PABC-PNP 100mg
A15766-50Mc-Val-Cit-PABC-PNP 50mg
A15766-1000Mc-Val-Cit-PABC-PNP 1g
HY-20336GMc-Val-Cit-PABC-PNP (GMP)
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