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17791-51-4 | L-Histidine, N,3-bis[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS No: 17791-51-4 Catalog No: AG0025LJ MDL No:MFCD03094049
Product Description
Catalog Number:
AG0025LJ
Chemical Name:
L-Histidine, N,3-bis[(1,1-dimethylethoxy)carbonyl]-, methyl ester
CAS Number:
17791-51-4
Molecular Formula:
C17H27N3O6
Molecular Weight:
369.4128
MDL Number:
MFCD03094049
IUPAC Name:
tert-butyl 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazole-1-carboxylate
InChI:
InChI=1S/C17H27N3O6/c1-16(2,3)25-14(22)19-12(13(21)24-7)8-11-9-20(10-18-11)15(23)26-17(4,5)6/h9-10,12H,8H2,1-7H3,(H,19,22)/t12-/m0/s1
InChI Key:
ZYCZFTGHOVFXLZ-LBPRGKRZSA-N
SMILES:
COC(=O)[C@H](Cc1cncn1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
369.19g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.418g/mol
Monoisotopic Mass:
369.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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