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113659-37-3 | L-Cysteine, S-[3-[[(methylsulfonyl)amino]carbonyl]-4-nitrophenyl]-
CAS No: 113659-37-3 Catalog No: AG000998 MDL No:
Product Description
Catalog Number:
AG000998
Chemical Name:
L-Cysteine, S-[3-[[(methylsulfonyl)amino]carbonyl]-4-nitrophenyl]-
CAS Number:
113659-37-3
Molecular Formula:
C11H13N3O7S2
Molecular Weight:
363.3668
IUPAC Name:
2-amino-3-[3-(methylsulfonylcarbamoyl)-4-nitrophenyl]sulfanylpropanoic acid
InChI:
InChI=1S/C11H13N3O7S2/c1-23(20,21)13-10(15)7-4-6(2-3-9(7)14(18)19)22-5-8(12)11(16)17/h2-4,8H,5,12H2,1H3,(H,13,15)(H,16,17)
InChI Key:
SVYXPILWCUITMF-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](CSc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])N
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.019g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.359g/mol
Monoisotopic Mass:
363.019g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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