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43167-40-4 | Tryptophan, N-acetyl-5-methoxy-
CAS No: 43167-40-4 Catalog No: AG000FGU MDL No:
Product Description
Catalog Number:
AG000FGU
Chemical Name:
Tryptophan, N-acetyl-5-methoxy-
CAS Number:
43167-40-4
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
IUPAC Name:
2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C14H16N2O4/c1-8(17)16-13(14(18)19)5-9-7-15-12-4-3-10(20-2)6-11(9)12/h3-4,6-7,13,15H,5H2,1-2H3,(H,16,17)(H,18,19)
InChI Key:
IJODSTPSSWJSBC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)C
NSC Number:
346590
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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