7-{[(2Z)-2-(2-Amino-5-Chloro-1,3-Thiazol-4-Yl)-2-(Hydroxyimino)Acetyl]Amino}-3-[(3-{[(2-Aminoethyl)Sulfanyl]Methyl}-4-Pyridinyl)Sulfanyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 189448-35-9]

Identification

• Name: 7-{[(2Z)-2-(2-Amino-5-Chloro-1,3-Thiazol-4-Yl)-2-(Hydroxyimino)Acetyl]Amino}-3-[(3-{[(2-Aminoethyl)Sulfanyl]Methyl}-4-Pyridinyl)Sulfanyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-3-[[3-[[(2-aminoethyl)thio]methyl]-4-pyridinyl]thio]-8-oxo-; 5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLICACID,7-[[(2Z)-2-(2-AMINO-5-CHLORO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL]AMINO]-3-[[3-[[(2-AMINOETHYL)THIO]METHYL]-4-PYRIDINYL]THIO]-8-OXO-,(6R,7R)-; 7-{[(2Z)-2-(2-Amino-5-chlor-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-[(3-{[(2-aminoethyl)sulfanyl]methyl}-4-pyridinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure
• Molecular Formula: C₂₀H₂₀ClN₇O₅S₄
• Molecular Weight: 602.13
• CAS Registry Number: 189448-35-9
• SMILES: c1cncc(c1SC2=C(N3C(C(C3=O)NC(=O)/C(=N\O)/c4c(sc(n4)N)Cl)SC2)C(=O)O)CSCCN
• InChI: 1S/C20H20ClN7O5S4/c21-15-11(26-20(23)37-15)12(27-33)16(29)25-13-17(30)28-14(19(31)32)10(7-35-18(13)28)36-9-1-3-24-5-8(9)6-34-4-2-22/h1,3,5,13,18,33H,2,4,6-7,22H2,(H2,23,26)(H,25,29)(H,31,32)/b27-12-
• InChIKey: LTUWUNMGTLOPNC-PPDIBHTLSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Refractive index: 1.876 (Cal.)