(1S,9S)-N-[(2R,3S)-2-Ethoxy-5-Oxooxolan-3-Yl]-9-(Isoquinoline-1-Carbonylamino)-6,10-Dioxo-2,3,4,7,8,9-Hexahydro-1H-Pyridazino[1,2-a]Diazepine-1-Carboxamide
[CAS# 192755-52-5]

Identification

• Name: (1S,9S)-N-[(2R,3S)-2-Ethoxy-5-Oxooxolan-3-Yl]-9-(Isoquinoline-1-Carbonylamino)-6,10-Dioxo-2,3,4,7,8,9-Hexahydro-1H-Pyridazino[1,2-a]Diazepine-1-Carboxamide
• Synonyms: (1S,9S)-N-[(2R,3S)-2-Ethoxy-5-Oxo-Tetrahydrofuran-3-Yl]-9-(Isoquinoline-1-Carbonylamino)-6,10-Dioxo-2,3,4,7,8,9-Hexahydro-1H-Pyridazino[1,2-A]Diazepine-1-Carboxamide; (1S,9S)-N-[(2R,3S)-2-Ethoxy-5-Oxo-3-Tetrahydrofuranyl]-9-[(1-Isoquinolyl-Oxomethyl)Amino]-6,10-Dioxo-2,3,4,7,8,9-Hexahydro-1H-Pyridazino[1,2-A]Diazepine-1-Carboxamide; (1S,9S)-N-[(2R,3S)-2-Ethoxy-5-Keto-Tetrahydrofuran-3-Yl]-9-(Isoquinoline-1-Carbonylamino)-6,10-Diketo-2,3,4,7,8,9-Hexahydro-1H-Pyridazino[1,2-A]Diazepine-1-Carboxamide
• Molecular Formula: C₂₆H₂₉N₅O₇
• Molecular Weight: 523.54
• CAS Registry Number: 192755-52-5
• SMILES: [C@@H]4(N3C([C@@H](NC(C1=C2C(=CC=N1)C=CC=C2)=O)CCC(N3CCC4)=O)=O)C(N[C@@H]5[C@@H](OC(C5)=O)OCC)=O
• InChI: 1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1
• InChIKey: CXAGHAZMQSCAKJ-WAHHBDPQSA-N

Properties

• Density: 1.44g/cm³ (Cal.)