Home Carbonyls (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-6-yl)propanoic acid

(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-6-yl)propanoic acid

CAS No.:
1998643-85-8
Catalog Number:
AG01EKRK
Molecular Formula:
C27H22N2O4
Molecular Weight:
438.4746
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Product Description
Catalog Number:
AG01EKRK
Chemical Name:
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-6-yl)propanoic acid
CAS Number:
1998643-85-8
Molecular Formula:
C27H22N2O4
Molecular Weight:
438.4746
MDL Number:
MFCD31736242
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid
InChI:
InChI=1S/C27H22N2O4/c30-26(31)25(15-17-11-12-24-18(14-17)6-5-13-28-24)29-27(32)33-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m0/s1
InChI Key:
SDOCAXUVRCYHEN-VWLOTQADSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc2c(c1)cccn2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
678  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
438.158g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
438.483g/mol
Monoisotopic Mass:
438.158g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties