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116246-43-6 | L-Tryptophan, 5-hydroxy-N-[(methylamino)carbonyl]-
CAS No: 116246-43-6 Catalog No: AG000C1F MDL No:
Product Description
Catalog Number:
AG000C1F
Chemical Name:
L-Tryptophan, 5-hydroxy-N-[(methylamino)carbonyl]-
CAS Number:
116246-43-6
Molecular Formula:
C13H15N3O4
Molecular Weight:
277.2759
IUPAC Name:
3-(5-hydroxy-1H-indol-3-yl)-2-(methylcarbamoylamino)propanoic acid
InChI:
InChI=1S/C13H15N3O4/c1-14-13(20)16-11(12(18)19)4-7-6-15-10-3-2-8(17)5-9(7)10/h2-3,5-6,11,15,17H,4H2,1H3,(H,18,19)(H2,14,16,20)
InChI Key:
GSHSDZSEUDPCFC-UHFFFAOYSA-N
SMILES:
CNC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cc(O)cc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
277.28g/mol
Monoisotopic Mass:
277.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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