SQ 14359

(6R,7S)-7-[[2-(carbamoylamino)-2-thiophen-2-ylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: SQ 14359|KST-1A7976|SQ 14,359|SQ-14,359|4-Amino-3-(4-chlorophenyl)-5-mercapto-4H-1,2,4-triazole|(6r,7s)-7-{[(carbamoylamino)(thiophen-2-yl)acetyl]amino}-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|6,7-Dimethoxy-2-propyl-1-veratryl-1,2,3,4-tetrahydro-isochinolin|(6R,7S)-7-[[2-(carbamoylamino)-2-thiophen-2-ylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((aminocarbonyl)amino)-2-thienylacetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7alpha,7(S*)))-|(6R,7S)-7-{[1-Hydroxy-2-{[hydroxy(imino)methyl]amino}-2-(thiophen-2-yl)ethylidene]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-[[2-(carbamoylamino)-2-thiophen-2-ylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-{[1-Hydroxy-2-{[hydroxy(imino)methyl]amino}-2-(thiophen-2-yl)ethylidene]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C18H20N8O6S3
Molecular Weight	540.0668 g/mol
LogP	-0.9
Topological Polar Surface Area	274.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	9
Exact Mass	540.0668
Monoisotopic Mass	540.0668
Heavy Atoms	35
Complexity	940.0

Chemical Identifiers

CAS Number	73764-72-4
SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=CS4)NC(=O)N)OC)SC2)C(=O)O
InChIKey	HPNPXNUAIRGSKT-HIYAZECZSA-N