5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-[(2R)-4-Chloro-3-Oxo-1-Phenylbutan-2-Yl]Pentanamide
[CAS# 142009-30-1]

Identification

• Name: 5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-[(2R)-4-Chloro-3-Oxo-1-Phenylbutan-2-Yl]Pentanamide
• Synonyms: 5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[(1R)-3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]Pentanamide; 5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[(1R)-1-(Benzyl)-3-Chloro-2-Keto-Propyl]Valeramide; 5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[(2R)-4-Chloro-3-Oxo-1-Phenyl-Butan-2-Yl]Pentanamide
• Molecular Formula: C₂₀H₂₆ClN₃O₃S
• Molecular Weight: 423.96
• CAS Registry Number: 142009-30-1
• SMILES: [C@H]1(SC[C@H]2[C@@H]1NC(N2)=O)CCCCC(N[C@@H](C(CCl)=O)CC3=CC=CC=C3)=O
• InChI: 1S/C20H26ClN3O3S/c21-11-16(25)14(10-13-6-2-1-3-7-13)22-18(26)9-5-4-8-17-19-15(12-28-17)23-20(27)24-19/h1-3,6-7,14-15,17,19H,4-5,8-12H2,(H,22,26)(H2,23,24,27)/t14-,15+,17+,19+/m1/s1
• InChIKey: GHRQVNADRFWTHC-YEWFCNIMSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 734.057°C at 760 mmHg (Cal.)
• Flash point: 397.743°C (Cal.)