Boc-D-Bpa-OH

CAT: 0024-sc-223827Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-223827Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

117666-94-1

Chemical Information

Boc-4-benzoyl-D-phenylalanine

CAS Number	117666-94-1
PubChem CID	7019892
IUPAC Name	(2R)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C21H23NO5
Molecular Weight	369.4
XLogP	3.2
Topological Polar Surface Area	92.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	525

SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-21(2,3)27-20(26)22-17(19(24)25)13-14-9-11-16(12-10-14)18(23)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,26)(H,24,25)/t17-/m1/s1

InChIKey

HIQJNYPOWPXYIC-QGZVFWFLSA-N

Chemical Structure

2D Structure

CAS: 117666-94-1

CID: 7019892

Formula: C21H23NO5

MW: 369.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	369.15762283
Monoisotopic Mass	369.15762283
Topological Polar Surface Area	92.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes