Home Carbonyls (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid

CAS No.:
954147-36-5
Catalog Number:
AG00IJ1B
Molecular Formula:
C20H19N5O4
Molecular Weight:
393.3960
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Product Description
Catalog Number:
AG00IJ1B
Chemical Name:
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid
CAS Number:
954147-36-5
Molecular Formula:
C20H19N5O4
Molecular Weight:
393.3960
MDL Number:
MFCD26407302
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoic acid
InChI:
InChI=1S/C20H19N5O4/c26-19(27)17(9-10-18-22-24-25-23-18)21-20(28)29-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,28)(H,26,27)(H,22,23,24,25)/t17-/m0/s1
InChI Key:
KCVWFZXYTWJVIX-KRWDZBQOSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCc1nnn[nH]1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
569  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
393.144g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
393.403g/mol
Monoisotopic Mass:
393.144g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties