Fibracillin
[CAS# 51154-48-4]

Identification

• Name: Fibracillin
• Synonyms: (2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-Methyl-Propanoyl]Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-Methyl-1-Oxopropyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-[[2-(4-Chlorophenoxy)-2-Methyl-Propanoyl]Amino]-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₆H₂₈ClN₃O₆S
• Molecular Weight: 546.04
• CAS Registry Number: 51154-48-4
• EINECS: 257-021-5
• SMILES: [C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(O)=O)(C)C)NC([C@H](NC(C(OC3=CC=C(Cl)C=C3)(C)C)=O)C4=CC=CC=C4)=O
• InChI: 1S/C26H28ClN3O6S/c1-25(2,36-16-12-10-15(27)11-13-16)24(35)29-17(14-8-6-5-7-9-14)20(31)28-18-21(32)30-19(23(33)34)26(3,4)37-22(18)30/h5-13,17-19,22H,1-4H3,(H,28,31)(H,29,35)(H,33,34)/t17-,18-,19+,22-/m1/s1
• InChIKey: BSIJLJGDLNRGBY-NXWNEQKCSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 868.153°C at 760 mmHg (Cal.)
• Flash point: 478.842°C (Cal.)