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87512-31-0 | Fmoc-Ala-Ala-OH
CAS No: 87512-31-0 Catalog No: AG004FK1 MDL No:MFCD00190869
Product Description
Catalog Number:
AG004FK1
Chemical Name:
Fmoc-Ala-Ala-OH
CAS Number:
87512-31-0
Molecular Formula:
C21H22N2O5
Molecular Weight:
382.4098
MDL Number:
MFCD00190869
IUPAC Name:
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C21H22N2O5/c1-12(19(24)22-13(2)20(25)26)23-21(27)28-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,12-13,18H,11H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/t12-,13-/m0/s1
InChI Key:
VXGGBPQPMISJCA-STQMWFEESA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
382.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
382.416g/mol
Monoisotopic Mass:
382.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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