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Home > Nitro Compounds > 866187-04-4
866187-04-4 | L-Tryptophan, N-[(2-nitrophenyl)sulfonyl]-
CAS No: 866187-04-4 Catalog No: AG004L0B MDL No:
Product Description
Catalog Number:
AG004L0B
Chemical Name:
L-Tryptophan, N-[(2-nitrophenyl)sulfonyl]-
CAS Number:
866187-04-4
Molecular Formula:
C17H15N3O6S
Molecular Weight:
389.3825
IUPAC Name:
(2S)-3-(1H-indol-3-yl)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C17H15N3O6S/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-27(25,26)16-8-4-3-7-15(16)20(23)24/h1-8,10,14,18-19H,9H2,(H,21,22)/t14-/m0/s1
InChI Key:
KCOKHHAGIKJJBC-AWEZNQCLSA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1c[nH]c2c1cccc2
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
389.068g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
389.382g/mol
Monoisotopic Mass:
389.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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