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N-Cbz-L-valine

CAT: 0572-TRC-C227785-1KGSize: 1 KgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C227785-1KGSize:1 Kg
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CAS Number
1149-26-4
Synonyms
L-Valine, N-[(phenylmethoxy)carbonyl]-; Valine, N-carboxy-, N-benzyl ester, L- (8CI); N-[(Phenylmethoxy)carbonyl]-L-valine; (+)-N-[(Phenylmethoxy)carbonyl]-L-valine; (2S)-2-[(Benzyloxycarbonyl)amino]-3-methylbutanoic acid; (S)-2-[(Benzyloxycarbonyl)amino]-3-methylbutanoic acid; Benzyloxycarbonyl-L-valine; CBZ-L-valine; Carbobenzoxy-L-valine; N-(Benzyloxycarbonyl)-L-valine; N-(Benzyloxycarbonyl)valine; N-Benzyloxycarbonyl-(S)-valine; N-Carbobenzoxy-L-valine; N-Carbobenzoxyvaline; N-Carbobenzyloxy-L-valine; N-CBZ-L-valine; 71Y89; Valaciclovir related
Hazard Statement
No Data Available
Smiles
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O
Molecular Formula
C13 H17 N O4
Molecular Weight
251.28
InChI
InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1
Additionnal Information
IUPAC name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Carbobenzoxy-L-valine

See also: L-Valine, N-(phenylmethoxy)carbonyl- (annotation moved to); N-Carbobenzoyl-DL-valine (annotation moved to).

CAS Number1149-26-4
PubChem CID726987
IUPAC Name(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
Molecular FormulaC13H17NO4
Molecular Weight251.28
XLogP1.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity285
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKey
CANZBRDGRHNSGZ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of N-Carbobenzoxy-L-valine
CAS: 1149-26-4
CID: 726987
Formula: C13H17NO4
MW: 251.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass251.11575802
Monoisotopic Mass251.11575802
Topological Polar Surface Area75.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes