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Cbz-DL-beta-phenylalanine

CAT: 0572-TRC-C227600-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C227600-10GSize:10 g
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CAS Number
14440-98-3
Synonyms
Cbz-DL-beta-phenylalanine
Hazard Statement
No Data Available
Smiles
OC(=O)CC(NC(=O)OCc1ccccc1)c2ccccc2
Molecular Formula
C17 H17 N O4
Molecular Weight
299.321
InChI
InChI=1S/C17H17NO4/c19-16(20)11-15(14-9-5-2-6-10-14)18-17(21)22-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)
Additionnal Information
IUPAC name: 3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
Shipping Conditions
Room Temperature

Chemical Information

3-{[(Benzyloxy)carbonyl]amino}-3-phenylpropanoic acid
CAS Number14440-98-3
PubChem CID304273
IUPAC Name3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
Molecular FormulaC17H17NO4
Molecular Weight299.32
XLogP2.5
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity360
SMILES
C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C17H17NO4/c19-16(20)11-15(14-9-5-2-6-10-14)18-17(21)22-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,21)(H,19,20)
InChIKey
POJLWVWXBAHGGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{[(Benzyloxy)carbonyl]amino}-3-phenylpropanoic acid
CAS: 14440-98-3
CID: 304273
Formula: C17H17NO4
MW: 299.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.32
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass299.11575802
Monoisotopic Mass299.11575802
Topological Polar Surface Area75.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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