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827022-72-0 | L-Cysteine, N-[(4,5-dihydro-2-phenyl-4-thiazolyl)carbonyl]-
CAS No: 827022-72-0 Catalog No: AG004WGA MDL No:
Product Description
Catalog Number:
AG004WGA
Chemical Name:
L-Cysteine, N-[(4,5-dihydro-2-phenyl-4-thiazolyl)carbonyl]-
CAS Number:
827022-72-0
Molecular Formula:
C13H14N2O3S2
Molecular Weight:
310.3919
IUPAC Name:
(2R)-2-[(2-phenyl-4,5-dihydro-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C13H14N2O3S2/c16-11(14-9(6-19)13(17)18)10-7-20-12(15-10)8-4-2-1-3-5-8/h1-5,9-10,19H,6-7H2,(H,14,16)(H,17,18)/t9-,10?/m0/s1
InChI Key:
QCEINFRVKKYRIQ-RGURZIINSA-N
SMILES:
SC[C@@H](C(=O)O)NC(=O)C1CSC(=N1)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.386g/mol
Monoisotopic Mass:
310.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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