RefChem:1074309

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 108691-83-4

Molecular Formula	`C16H15N5O7S2`
Molecular Weight	453.5 g/mol
LogP	-0.7
Topological Polar Surface Area	238.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	453.0413
Heavy Atoms	30
Complexity	861.0

Chemical Identifiers

CAS Number	108691-83-4
SMILES	`C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O`
InChIKey	`OKBVVJOGVLARMR-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1074309 (CAS: 108691-83-4) is a chemical compound with molecular formula C16H15N5O7S2 and molecular weight 453.5 g/mol. Its IUPAC systematic name is 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -0.7 Topological Polar Surface Area 238.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 8 Exact Mass 453.0413 Heavy Atoms 30 Complexity 861.0 InChI Key: OKBVVJOGVLARMR-UHFFFAOYSA-N. SMILES: C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O.

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