Home Carboxys Racemic-(3aS,3bR,6aR,7aS)-5-((benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)decahydro-1H-cyclopenta[1,2-c:3,4-c]dipyrrole-6a-carboxylic acid

Racemic-(3aS,3bR,6aR,7aS)-5-((benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)decahydro-1H-cyclopenta[1,2-c:3,4-c]dipyrrole-6a-carboxylic acid

CAS No.:
1357352-34-1
Catalog Number:
AG00HUCQ
Molecular Formula:
C23H30N2O6
Molecular Weight:
430.4941
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Product Description
Catalog Number:
AG00HUCQ
Chemical Name:
Racemic-(3aS,3bR,6aR,7aS)-5-((benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)decahydro-1H-cyclopenta[1,2-c:3,4-c]dipyrrole-6a-carboxylic acid
CAS Number:
1357352-34-1
Molecular Formula:
C23H30N2O6
Molecular Weight:
430.4941
MDL Number:
MFCD22209392
IUPAC Name:
(1R,2R,6R,8S)-10-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonyl-4,10-diazatricyclo[6.3.0.02,6]undecane-6-carboxylic acid
InChI:
InChI=1S/C23H30N2O6/c1-22(2,3)31-21(29)24-10-16-9-23(19(26)27)14-25(12-18(23)17(16)11-24)20(28)30-13-15-7-5-4-6-8-15/h4-8,16-18H,9-14H2,1-3H3,(H,26,27)/t16-,17-,18-,23+/m1/s1
InChI Key:
NMANLUQNKQTXFI-NWFVXXGESA-N
SMILES:
O=C(N1C[C@H]2[C@@](C1)(C[C@H]1[C@@H]2CN(C1)C(=O)OC(C)(C)C)C(=O)O)OCc1ccccc1
Properties
Complexity:
728  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
430.21g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
430.501g/mol
Monoisotopic Mass:
430.21g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties