CAS Registry Number®
110764-35-7
CAS Name
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1-propenyl)-, [6R-[3(Z),6α,7β(S*)]]-
Molecular Formula
C18H19N3O5S
Molecular Mass
389.43
Other Names and Identifiers
InChI
InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2-/t12-,13+,17+/m0/s1
InChIKey
InChIKey=WDLWHQDACQUCJR-MSNJBKEKSA-N
SMILES
C(O)(=O)C=1N2[C@@]([C@H](NC([C@@H](N)C3=CC=C(O)C=C3)=O)C2=O)(SCC1/C=C\C)[H]
Canonical SMILES
O=C(O)C1=C(C=CC)CSC2N1C(=O)C2NC(=O)C(N)C3=CC=C(O)C=C3
Other Names for this Substance
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1-propenyl)-, [6R-[3(Z),6α,7β(S*)]]-
