Products for Research Use Only
RegisterLogin

Alloc-Val-Cit-PAB-OH

CAT: 0127-OR1032368-02Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1032368-02Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1608127-09-8
Purity
98%
Smiles
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OCC=C

Chemical Information

Alloc-val-cit-pab-OH
CAS Number1608127-09-8
PubChem CID139209066
IUPAC Nameprop-2-enyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular FormulaC22H33N5O6
Molecular Weight463.5
XLogP0.8
Topological Polar Surface Area172
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity664
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OCC=C
InChI
InChI=1S/C22H33N5O6/c1-4-12-33-22(32)27-18(14(2)3)20(30)26-17(6-5-11-24-21(23)31)19(29)25-16-9-7-15(13-28)8-10-16/h4,7-10,14,17-18,28H,1,5-6,11-13H2,2-3H3,(H,25,29)(H,26,30)(H,27,32)(H3,23,24,31)/t17-,18-/m0/s1
InChIKey
VIAGKMZHEWMVCC-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Alloc-val-cit-pab-OH
CAS: 1608127-09-8
CID: 139209066
Formula: C22H33N5O6
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP30.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass463.24308379
Monoisotopic Mass463.24308379
Topological Polar Surface Area172 Ų
Heavy Atom Count33
Formal Charge0
Complexity664
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

Related Products

CatalogName
BUP17544Val-cit-PAB-OH
BIPG2075-01Alkyne-Val-Cit-PAB-OH
OR1034264Mal-PEG2-Val-Cit-PAB-OH
OR1007705Azido-PEG4-Val-Cit-PAB-OH
OR1006459Mal-PEG4-Val-Cit-PAB-OH
OR1013400-01Fmoc-Val-Cit-OH
BUP17431Boc-Val-Cit-OH
OR1032865-01Mc-Val-Cit-OH
OR1012549-01Boc-Val-Cit-OH
OR471212-01Val-Cit-PAB

Alternative Products

CatalogName
CSB-DT2578Alloc-Val-Cit-PAB-OH
FV145679-01Val-Cit-PAB-OH
HY-W076556-01Alloc-Val-Ala-OH
CSB-DT2154Fmoc-Val-Cit-PAB-OH
HY-141144OPSS-Val-Cit-PAB-OH
HY-164273Azidoacetyl-Val-Cit-PAB-OH
MBS9023067-01Mc-Val-Cit-PAB-OH
A21686-1000Val-cit-PAB-OH 1g
T89166-01Alkyne-Val-Cit-PAB-OH
MBS9023065-01Boc-Val-Cit-PAB-OH

Popular Products