Home Carbonyls Racemic-(1R,3R,4R)-3-(((Benzyloxy)Carbonyl)Amino)-7-(Tert-Butoxycarbonyl)-7-Azabicyclo[2.2.1]Heptane-1-Carboxylic Acid

Racemic-(1R,3R,4R)-3-(((Benzyloxy)Carbonyl)Amino)-7-(Tert-Butoxycarbonyl)-7-Azabicyclo[2.2.1]Heptane-1-Carboxylic Acid

CAS No.:
1445949-59-6
Catalog Number:
AG019F0R
Molecular Formula:
C20H26N2O6
Molecular Weight:
390.4302
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Product Description
Catalog Number:
AG019F0R
Chemical Name:
Racemic-(1R,3R,4R)-3-(((Benzyloxy)Carbonyl)Amino)-7-(Tert-Butoxycarbonyl)-7-Azabicyclo[2.2.1]Heptane-1-Carboxylic Acid
CAS Number:
1445949-59-6
Molecular Formula:
C20H26N2O6
Molecular Weight:
390.4302
IUPAC Name:
(3R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethoxycarbonylamino)-7-azabicyclo[2.2.1]heptane-1-carboxylic acid
InChI:
InChI=1S/C20H26N2O6/c1-19(2,3)28-18(26)22-15-9-10-20(22,16(23)24)11-14(15)21-17(25)27-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,21,25)(H,23,24)/t14-,15?,20?/m1/s1
InChI Key:
DNNSMBFORUWYIN-ZUIJCZDSSA-N
SMILES:
O=C(N[C@@H]1CC2(N(C1CC2)C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Properties
Complexity:
625  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.179g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
390.436g/mol
Monoisotopic Mass:
390.179g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties