Home Carboxys 5-[({1-[(tert-butoxy)carbonyl]azetidin-3-yl}({[(9H-fluoren-9-yl)methoxy]carbonyl})amino)methyl]-2-methylfuran-3-carboxylic acid

5-[({1-[(tert-butoxy)carbonyl]azetidin-3-yl}({[(9H-fluoren-9-yl)methoxy]carbonyl})amino)methyl]-2-methylfuran-3-carboxylic acid

CAS No.:
2137608-60-5
Catalog Number:
AG01EKKU
Molecular Formula:
C30H32N2O7
Molecular Weight:
532.5843
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Product Description
Catalog Number:
AG01EKKU
Chemical Name:
5-[({1-[(tert-butoxy)carbonyl]azetidin-3-yl}({[(9H-fluoren-9-yl)methoxy]carbonyl})amino)methyl]-2-methylfuran-3-carboxylic acid
CAS Number:
2137608-60-5
Molecular Formula:
C30H32N2O7
Molecular Weight:
532.5843
MDL Number:
MFCD31460183
IUPAC Name:
5-[[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-2-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C30H32N2O7/c1-18-25(27(33)34)13-20(38-18)16-32(19-14-31(15-19)28(35)39-30(2,3)4)29(36)37-17-26-23-11-7-5-9-21(23)22-10-6-8-12-24(22)26/h5-13,19,26H,14-17H2,1-4H3,(H,33,34)
InChI Key:
IKKBHDCBEWWPLM-UHFFFAOYSA-N
SMILES:
O=C(N(C1CN(C1)C(=O)OC(C)(C)C)Cc1oc(c(c1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
892  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.221g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
532.593g/mol
Monoisotopic Mass:
532.221g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties