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174132-31-1 | L-Phenylalanine, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 174132-31-1 Catalog No: AG001ZH2 MDL No:MFCD00237007
Product Description
Catalog Number:
AG001ZH2
Chemical Name:
L-Phenylalanine, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
174132-31-1
Molecular Formula:
C29H30N2O6
Molecular Weight:
502.5583
MDL Number:
MFCD00237007
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
InChI:
InChI=1S/C29H30N2O6/c1-29(2,3)37-28(35)30-19-14-12-18(13-15-19)16-25(26(32)33)31-27(34)36-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1
InChI Key:
KVUAOWDVYMUKPE-VWLOTQADSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)NC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
781
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
502.21g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
502.567g/mol
Monoisotopic Mass:
502.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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