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1217665-54-7

1217665-54-7 | D-Phenylalanine, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

CAS No: 1217665-54-7 Catalog No: AG0015VI MDL No:MFCD03093567

Product Description

Catalog Number:
AG0015VI
Chemical Name:
D-Phenylalanine, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1217665-54-7
Molecular Formula:
C30H32N2O6
Molecular Weight:
516.5849
MDL Number:
MFCD03093567
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoic acid
InChI:
InChI=1S/C30H32N2O6/c1-30(2,3)38-28(35)31-17-20-10-8-9-19(15-20)16-26(27(33)34)32-29(36)37-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,34)/t26-/m1/s1
InChI Key:
CLXDODPHMWMJCQ-AREMUKBSSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1cccc(c1)CNC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
804  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
516.226g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
516.594g/mol
Monoisotopic Mass:
516.226g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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