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116208-83-4 | Tryptophan, N-(4-methoxy-1,4-dioxobutyl)-
CAS No: 116208-83-4 Catalog No: AG000BY6 MDL No:
Product Description
Catalog Number:
AG000BY6
Chemical Name:
Tryptophan, N-(4-methoxy-1,4-dioxobutyl)-
CAS Number:
116208-83-4
Molecular Formula:
C16H18N2O5
Molecular Weight:
318.3245
IUPAC Name:
3-(1H-indol-3-yl)-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
InChI:
InChI=1S/C16H18N2O5/c1-23-15(20)7-6-14(19)18-13(16(21)22)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,17H,6-8H2,1H3,(H,18,19)(H,21,22)
InChI Key:
PLANEIQTTNGAGE-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
318.329g/mol
Monoisotopic Mass:
318.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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