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114260-37-6 | L-Cysteine, N-acetyl-S-[(6-chloro-2-pyridinyl)methyl]-
CAS No: 114260-37-6 Catalog No: AG000AXB MDL No:
Product Description
Catalog Number:
AG000AXB
Chemical Name:
L-Cysteine, N-acetyl-S-[(6-chloro-2-pyridinyl)methyl]-
CAS Number:
114260-37-6
Molecular Formula:
C11H13ClN2O3S
Molecular Weight:
288.7505
IUPAC Name:
(2R)-2-acetamido-3-[(6-chloropyridin-2-yl)methylsulfanyl]propanoic acid
InChI:
InChI=1S/C11H13ClN2O3S/c1-7(15)13-9(11(16)17)6-18-5-8-3-2-4-10(12)14-8/h2-4,9H,5-6H2,1H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChI Key:
YOHHACKBVJVBCE-VIFPVBQESA-N
SMILES:
CC(=O)N[C@H](C(=O)O)CSCc1cccc(n1)Cl
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.746g/mol
Monoisotopic Mass:
288.034g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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