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113790-27-5 | L-Cysteine, N-acetyl-S-[2-amino-4-(5-nitro-2-furanyl)-5-thiazolyl]-
CAS No: 113790-27-5 Catalog No: AG0009P1 MDL No:
Product Description
Catalog Number:
AG0009P1
Chemical Name:
L-Cysteine, N-acetyl-S-[2-amino-4-(5-nitro-2-furanyl)-5-thiazolyl]-
CAS Number:
113790-27-5
Molecular Formula:
C12H12N4O6S2
Molecular Weight:
372.3769
IUPAC Name:
2-acetamido-3-[[2-amino-4-(5-nitrofuran-2-yl)-1,3-thiazol-5-yl]sulfanyl]propanoic acid
InChI:
InChI=1S/C12H12N4O6S2/c1-5(17)14-6(10(18)19)4-23-11-9(15-12(13)24-11)7-2-3-8(22-7)16(20)21/h2-3,6H,4H2,1H3,(H2,13,15)(H,14,17)(H,18,19)
InChI Key:
RKJHCUHPROCAHQ-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)CSc1sc(nc1c1ccc(o1)[N+](=O)[O-])N
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.02g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.37g/mol
Monoisotopic Mass:
372.02g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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