Home Carbonyls (βS)-1-[(1,1-Dimethylethoxy)carbonyl]-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1H-indole-3-butanoic acid

(βS)-1-[(1,1-Dimethylethoxy)carbonyl]-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1H-indole-3-butanoic acid

CAS No.:
357271-55-7
Catalog Number:
AG003ALK
Molecular Formula:
C32H32N2O6
Molecular Weight:
540.6063
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Product Description
Catalog Number:
AG003ALK
Chemical Name:
(βS)-1-[(1,1-Dimethylethoxy)carbonyl]-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1H-indole-3-butanoic acid
CAS Number:
357271-55-7
Molecular Formula:
C32H32N2O6
Molecular Weight:
540.6063
MDL Number:
MFCD09842083
IUPAC Name:
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]butanoic acid
InChI:
InChI=1S/C32H32N2O6/c1-32(2,3)40-31(38)34-18-20(22-10-8-9-15-28(22)34)16-21(17-29(35)36)33-30(37)39-19-27-25-13-6-4-11-23(25)24-12-5-7-14-26(24)27/h4-15,18,21,27H,16-17,19H2,1-3H3,(H,33,37)(H,35,36)/t21-/m0/s1
InChI Key:
HJKUZJNYQMKUEN-NRFANRHFSA-N
SMILES:
OC(=O)C[C@H](Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
896  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
540.226g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
540.616g/mol
Monoisotopic Mass:
540.226g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Properties