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CBZ-L-Norvaline

CAT: 0127-OR316036-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR316036-01Size:5 g
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CAS Number
21691-44-1
Synonyms
N-[ (Benzyloxy) carbonyl]-L-norvaline
MDL Number
MFCD00063167
Purity
98%
Smiles
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

Chemical Information

(S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid
CAS Number21691-44-1
PubChem CID6993399
IUPAC Name(2S)-2-(phenylmethoxycarbonylamino)pentanoic acid
Molecular FormulaC13H17NO4
Molecular Weight251.28
XLogP2.3
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count18
Formal Charge0
Complexity274
SMILES
CCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H17NO4/c1-2-6-11(12(15)16)14-13(17)18-9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKey
NSJDRLWFFAWSFP-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid
CAS: 21691-44-1
CID: 6993399
Formula: C13H17NO4
MW: 251.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass251.11575802
Monoisotopic Mass251.11575802
Topological Polar Surface Area75.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity274
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

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