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213383-02-9

213383-02-9 | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid

CAS No: 213383-02-9 Catalog No: AG00386Y MDL No:MFCD02094466

Product Description

Catalog Number:
AG00386Y
Chemical Name:
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid
CAS Number:
213383-02-9
Molecular Formula:
C28H29NO4
Molecular Weight:
443.5342
MDL Number:
MFCD02094466
IUPAC Name:
(2S)-3-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C28H29NO4/c1-28(2,3)19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)/t25-/m0/s1
InChI Key:
OKEORFXNCSRZFL-VWLOTQADSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)C(C)(C)C)OCC1c2ccccc2c2c1cccc2

Properties

Complexity:
656  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
443.21g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
443.543g/mol
Monoisotopic Mass:
443.21g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  

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