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Boc-Asp(OBzl)-OH

CAT: 0607-A6643-25000Size: 25 gDry Ice: NoHazardous: No
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CAT#:0607-A6643-25000Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7536-58-5
Product Name Alternative
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
Purity
0.98
Smiles
CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)O
Molecular Formula
C16H21NO6
Molecular Weight
323.34
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-tert-Butoxycarbonyl-L-aspartic acid beta-benzyl ester
CAS Number7536-58-5
PubChem CID1581888
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid
Molecular FormulaC16H21NO6
Molecular Weight323.34
XLogP1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity423
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChIKey
SOHLZANWVLCPHK-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of N-tert-Butoxycarbonyl-L-aspartic acid beta-benzyl ester
CAS: 7536-58-5
CID: 1581888
Formula: C16H21NO6
MW: 323.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.34
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass323.13688739
Monoisotopic Mass323.13688739
Topological Polar Surface Area102 Ų
Heavy Atom Count23
Formal Charge0
Complexity423
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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