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1235346-28-7 | L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-5-methoxy-, methyl ester
CAS No: 1235346-28-7 Catalog No: AG000KQJ MDL No:MFCD11656820
Product Description
Catalog Number:
AG000KQJ
Chemical Name:
L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-5-methoxy-, methyl ester
CAS Number:
1235346-28-7
Molecular Formula:
C18H24N2O5
Molecular Weight:
348.3936
MDL Number:
MFCD11656820
IUPAC Name:
methyl (2S)-3-(5-methoxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C18H24N2O5/c1-18(2,3)25-17(22)20-15(16(21)24-5)8-11-10-19-14-7-6-12(23-4)9-13(11)14/h6-7,9-10,15,19H,8H2,1-5H3,(H,20,22)/t15-/m0/s1
InChI Key:
TZTNFPWKYFSEAE-HNNXBMFYSA-N
SMILES:
COC(=O)[C@H](Cc1c[nH]c2c1cc(OC)cc2)NC(=O)OC(C)(C)C
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
348.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.399g/mol
Monoisotopic Mass:
348.169g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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