Home Carbonyls (S)-3-(((9H-fluoren-9-yl)methyl)thio)-2-(((allyloxy)carbonyl)amino)propanoic acid

(S)-3-(((9H-fluoren-9-yl)methyl)thio)-2-(((allyloxy)carbonyl)amino)propanoic acid

CAS No.:
182201-77-0
Catalog Number:
AG01DDLW
Molecular Formula:
C21H21NO4S
Molecular Weight:
383.4607
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Product Description
Catalog Number:
AG01DDLW
Chemical Name:
(S)-3-(((9H-fluoren-9-yl)methyl)thio)-2-(((allyloxy)carbonyl)amino)propanoic acid
CAS Number:
182201-77-0
Molecular Formula:
C21H21NO4S
Molecular Weight:
383.4607
MDL Number:
MFCD30573902
IUPAC Name:
(2R)-3-(9H-fluoren-9-ylmethylsulfanyl)-2-(prop-2-enoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C21H21NO4S/c1-2-11-26-21(25)22-19(20(23)24)13-27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,22,25)(H,23,24)/t19-/m0/s1
InChI Key:
MUSZBDPVJSUUQY-IBGZPJMESA-N
SMILES:
C=CCOC(=O)N[C@@H](C(=O)O)CSCC1c2ccccc2c2c1cccc2
Properties
Complexity:
518  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
383.119g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
383.462g/mol
Monoisotopic Mass:
383.119g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties