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Home > Nitro Compounds > 15160-31-3
15160-31-3 | L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 15160-31-3 Catalog No: AG001NGG MDL No:MFCD00022757
Product Description
Catalog Number:
AG001NGG
Chemical Name:
L-Tryptophan, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
15160-31-3
Molecular Formula:
C22H23N3O6
Molecular Weight:
425.4345
MDL Number:
MFCD00022757
IUPAC Name:
(4-nitrophenyl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C22H23N3O6/c1-22(2,3)31-21(27)24-19(12-14-13-23-18-7-5-4-6-17(14)18)20(26)30-16-10-8-15(9-11-16)25(28)29/h4-11,13,19,23H,12H2,1-3H3,(H,24,27)/t19-/m0/s1
InChI Key:
LQGKMKBNHAFRBV-IBGZPJMESA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])Cc1c[nH]c2c1cccc2
EC Number:
239-214-6
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
425.159g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.441g/mol
Monoisotopic Mass:
425.159g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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