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73724-43-3 | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(tert-butyldisulfanyl)propanoic acid
CAS No: 73724-43-3 Catalog No: AG003QN0 MDL No:MFCD00042617
Product Description
Catalog Number:
AG003QN0
Chemical Name:
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(tert-butyldisulfanyl)propanoic acid
CAS Number:
73724-43-3
Molecular Formula:
C22H25NO4S2
Molecular Weight:
431.5682
MDL Number:
MFCD00042617
IUPAC Name:
(2R)-3-(tert-butyldisulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C22H25NO4S2/c1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChI Key:
ZDUMTHLUTJOUML-IBGZPJMESA-N
SMILES:
O=C(N[C@H](C(=O)O)CSSC(C)(C)C)OCC1c2ccccc2c2c1cccc2
EC Number:
277-574-6
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
431.123g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
431.565g/mol
Monoisotopic Mass:
431.123g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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