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167489-39-6 | L-Histidine, N-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CAS No: 167489-39-6 Catalog No: AG001XEQ MDL No:
Product Description
Catalog Number:
AG001XEQ
Chemical Name:
L-Histidine, N-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CAS Number:
167489-39-6
Molecular Formula:
C14H12N4O3
Molecular Weight:
284.2701
IUPAC Name:
(2S)-3-(1H-imidazol-5-yl)-2-[(2-oxo-1H-indol-3-ylidene)amino]propanoic acid
InChI:
InChI=1S/C14H12N4O3/c19-13-12(9-3-1-2-4-10(9)18-13)17-11(14(20)21)5-8-6-15-7-16-8/h1-4,6-7,11H,5H2,(H,15,16)(H,20,21)(H,17,18,19)/t11-/m0/s1
InChI Key:
KHEBKNRYHQJCTE-NSHDSACASA-N
SMILES:
OC(=O)[C@@H](N=C1C(=O)Nc2c1cccc2)Cc1c[nH]cn1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.275g/mol
Monoisotopic Mass:
284.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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