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117106-21-5 | Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS No: 117106-21-5 Catalog No: AG000DQQ MDL No:MFCD00236845
Product Description
Catalog Number:
AG000DQQ
Chemical Name:
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
CAS Number:
117106-21-5
Molecular Formula:
C24H28N2O6
Molecular Weight:
440.4889
MDL Number:
MFCD00236845
IUPAC Name:
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1
InChI Key:
MJZDTTZGQUEOBL-FQEVSTJZSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
440.195g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
440.496g/mol
Monoisotopic Mass:
440.195g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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