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Home > Nitro Compounds > 76863-77-9
76863-77-9 | L-Leucine,N-[(3-nitro-2-pyridinyl)thio]-
CAS No: 76863-77-9 Catalog No: AG005S3N MDL No:
Product Description
Catalog Number:
AG005S3N
Chemical Name:
L-Leucine,N-[(3-nitro-2-pyridinyl)thio]-
CAS Number:
76863-77-9
Molecular Formula:
C11H15N3O4S
Molecular Weight:
285.3195
IUPAC Name:
(2S)-4-methyl-2-[(3-nitropyridin-2-yl)sulfanylamino]pentanoic acid
InChI:
InChI=1S/C11H15N3O4S/c1-7(2)6-8(11(15)16)13-19-10-9(14(17)18)4-3-5-12-10/h3-5,7-8,13H,6H2,1-2H3,(H,15,16)/t8-/m0/s1
InChI Key:
QCVUBDSGNDCAAO-QMMMGPOBSA-N
SMILES:
CC(C[C@@H](C(=O)O)NSc1ncccc1[N+](=O)[O-])C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
285.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.318g/mol
Monoisotopic Mass:
285.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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