Home Carbonyls (3S)-4-cyclohexyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

(3S)-4-cyclohexyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

CAS No.:
1016276-93-9
Catalog Number:
AG01EKZG
Molecular Formula:
C25H29NO4
Molecular Weight:
407.5021
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Product Description
Catalog Number:
AG01EKZG
Chemical Name:
(3S)-4-cyclohexyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
CAS Number:
1016276-93-9
Molecular Formula:
C25H29NO4
Molecular Weight:
407.5021
MDL Number:
MFCD08276242
IUPAC Name:
(3S)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C25H29NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,17-18,23H,1-3,8-9,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1
InChI Key:
RXBITLXZMVCYKD-SFHVURJKSA-N
SMILES:
OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC1CCCCC1
Properties
Complexity:
566  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
407.21g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
407.51g/mol
Monoisotopic Mass:
407.21g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties