200,000+ products from a single source!
sales@angenechem.com
88291-50-3 | L-Phenylalanine, 4-[(aminoiminomethyl)amino]-N-(phenylthioxomethyl)-
CAS No: 88291-50-3 Catalog No: AG004A14 MDL No:
Product Description
Catalog Number:
AG004A14
Chemical Name:
L-Phenylalanine, 4-[(aminoiminomethyl)amino]-N-(phenylthioxomethyl)-
CAS Number:
88291-50-3
Molecular Formula:
C17H18N4O2S
Molecular Weight:
342.4154
IUPAC Name:
(2S)-2-(benzenecarbonothioylamino)-3-[4-(hydrazinylmethylideneamino)phenyl]propanoic acid
InChI:
InChI=1S/C17H18N4O2S/c18-20-11-19-14-8-6-12(7-9-14)10-15(17(22)23)21-16(24)13-4-2-1-3-5-13/h1-9,11,15H,10,18H2,(H,19,20)(H,21,24)(H,22,23)/t15-/m0/s1
InChI Key:
KEYRUJMHAKPSKK-HNNXBMFYSA-N
SMILES:
NN=CNc1ccc(cc1)C[C@@H](C(=O)O)NC(=S)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
342.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.417g/mol
Monoisotopic Mass:
342.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.