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119768-45-5 | L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-5-hydroxy-
CAS No: 119768-45-5 Catalog No: AG000PML MDL No:MFCD00270732
Product Description
Catalog Number:
AG000PML
Chemical Name:
L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-5-hydroxy-
CAS Number:
119768-45-5
Molecular Formula:
C16H20N2O5
Molecular Weight:
320.3404
MDL Number:
MFCD00270732
IUPAC Name:
(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H20N2O5/c1-16(2,3)23-15(22)18-13(14(20)21)6-9-8-17-12-5-4-10(19)7-11(9)12/h4-5,7-8,13,17,19H,6H2,1-3H3,(H,18,22)(H,20,21)/t13-/m0/s1
InChI Key:
JELADEDZLOFFTA-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)NC(=O)OC(C)(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
320.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
320.345g/mol
Monoisotopic Mass:
320.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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