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155723-02-7 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (6R,7R)-
CAS No: 155723-02-7 Catalog No: AG001O5G MDL No:
Product Description
Catalog Number:
AG001O5G
Chemical Name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-, (6R,7R)-
CAS Number:
155723-02-7
Molecular Formula:
C13H13N3O3S2
Molecular Weight:
323.3906
IUPAC Name:
(6R,7R)-7-amino-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C13H13N3O3S2/c1-6-8(21-5-15-6)3-2-7-4-20-12-9(14)11(17)16(12)10(7)13(18)19/h2-3,5,9,12H,4,14H2,1H3,(H,18,19)/b3-2-/t9-,12-/m1/s1
InChI Key:
SDEIKNWRVHSKQN-FSZPXCJPSA-N
SMILES:
Cc1ncsc1/C=C\C1=C(N2[C@H](SC1)[C@@H](C2=O)N)C(=O)O
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
323.04g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.385g/mol
Monoisotopic Mass:
323.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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