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Home > Nitro Compounds > 13155-45-8
13155-45-8 | L-Cysteine, N-[(2-nitrophenyl)thio]-S-(phenylmethyl)-
CAS No: 13155-45-8 Catalog No: AG000ZEX MDL No:
Product Description
Catalog Number:
AG000ZEX
Chemical Name:
L-Cysteine, N-[(2-nitrophenyl)thio]-S-(phenylmethyl)-
CAS Number:
13155-45-8
Molecular Formula:
C16H16N2O4S2
Molecular Weight:
364.4392
IUPAC Name:
3-benzylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoic acid
InChI:
InChI=1S/C16H16N2O4S2/c19-16(20)13(11-23-10-12-6-2-1-3-7-12)17-24-15-9-5-4-8-14(15)18(21)22/h1-9,13,17H,10-11H2,(H,19,20)
InChI Key:
SRCCJCWCKMDQMO-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H](NSc1ccccc1[N+](=O)[O-])CSCc1ccccc1
NSC Number:
154958
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.055g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.434g/mol
Monoisotopic Mass:
364.055g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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