(4-Nitrophenyl)Methyl [5R-[5alpha,6alpha(R*)]]-6-(1-Hydroxyethyl)-3-[[2-[[[(4-Nitrophenyl)Methoxy]Carbonyl]Amino]Ethyl]Thio]-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
[CAS# 64067-13-6]

Identification

• Name: (4-Nitrophenyl)Methyl [5R-[5alpha,6alpha(R*)]]-6-(1-Hydroxyethyl)-3-[[2-[[[(4-Nitrophenyl)Methoxy]Carbonyl]Amino]Ethyl]Thio]-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
• Synonyms: (5R)-6-(1-Hydroxyethyl)-3-[2-[[(4-Nitrophenyl)Methoxy-Oxomethyl]Amino]Ethylthio]-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid (4-Nitrophenyl)Methyl Ester; (5R)-6-(1-Hydroxyethyl)-7-Keto-3-[2-[(4-Nitrobenzyl)Oxycarbonylamino]Ethylthio]-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid (4-Nitrobenzyl) Ester; (4-Nitrophenyl)Methyl (5R-(5Alpha,6Alpha(R*)))-6-(1-Hydroxyethyl)-3-((2-((((4-Nitrophenyl)Methoxy)Carbonyl)Amino)Ethyl)Thio)-7-Oxo-1-Azabicyclo(3.2.0)Hept-2-Ene-2-Carboxylate
• Molecular Formula: C₂₆H₂₆N₄O₁₀S
• Molecular Weight: 586.57
• CAS Registry Number: 64067-13-6
• EINECS: 264-650-9
• SMILES: [C@H]13N(C(=O)C1[C@H](O)C)C(=C(SCCNC(OCC2=CC=C([N+]([O-])=O)C=C2)=O)C3)C(OCC4=CC=C([N+]([O-])=O)C=C4)=O
• InChI: 1S/C26H26N4O10S/c1-15(31)22-20-12-21(41-11-10-27-26(34)40-14-17-4-8-19(9-5-17)30(37)38)23(28(20)24(22)32)25(33)39-13-16-2-6-18(7-3-16)29(35)36/h2-9,15,20,22,31H,10-14H2,1H3,(H,27,34)/t15-,20-,22?/m1/s1
• InChIKey: GOIVJQWRIDIJOW-LDHILPOSSA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Boiling point: 840.176°C at 760 mmHg (Cal.)
• Flash point: 461.922°C (Cal.)