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BOC-THR(ALA-FMOC)-OH

CAS No.:
909115-21-5
Catalog Number:
AG00VQY0
Molecular Formula:
C27H32N2O8
Molecular Weight:
512.5516
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Product Description
Catalog Number:
AG00VQY0
Chemical Name:
BOC-THR(ALA-FMOC)-OH
CAS Number:
909115-21-5
Molecular Formula:
C27H32N2O8
Molecular Weight:
512.5516
MDL Number:
MFCD10001359
IUPAC Name:
(2S,3R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C27H32N2O8/c1-15(24(32)36-16(2)22(23(30)31)29-26(34)37-27(3,4)5)28-25(33)35-14-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,15-16,21-22H,14H2,1-5H3,(H,28,33)(H,29,34)(H,30,31)/t15-,16+,22-/m0/s1
InChI Key:
QBYYWPMYAPYVGF-DMPWYTOCSA-N
SMILES:
O=C(N[C@H](C(=O)O[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C)C)OCC1c2ccccc2c2c1cccc2 C27H32N2O8
Properties
Complexity:
819  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
512.216g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
512.559g/mol
Monoisotopic Mass:
512.216g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties