Home Carbonyls (2S)-4-{[3-(tert-butoxy)-3-oxopropyl]sulfanyl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

(2S)-4-{[3-(tert-butoxy)-3-oxopropyl]sulfanyl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

CAS No.:
98441-66-8
Catalog Number:
AG01B4UV
Molecular Formula:
C26H31NO6S
Molecular Weight:
485.5924
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Product Description
Catalog Number:
AG01B4UV
Chemical Name:
(2S)-4-{[3-(tert-butoxy)-3-oxopropyl]sulfanyl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
CAS Number:
98441-66-8
Molecular Formula:
C26H31NO6S
Molecular Weight:
485.5924
MDL Number:
MFCD30180979
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanylbutanoic acid
InChI:
InChI=1S/C26H31NO6S/c1-26(2,3)33-23(28)13-15-34-14-12-22(24(29)30)27-25(31)32-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22H,12-16H2,1-3H3,(H,27,31)(H,29,30)
InChI Key:
DUXGLVRYGWZGES-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCSCCC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
686  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.187g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
485.595g/mol
Monoisotopic Mass:
485.187g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties