(2S-(2R*,5R*))-7-((3,4-Dihydro-2H-Pyrrol-5-Yl)Carbonyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
[CAS# 156312-08-2]

Identification

• Name: (2S-(2R*,5R*))-7-((3,4-Dihydro-2H-Pyrrol-5-Yl)Carbonyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylethyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
• Synonyms: Blastmycetin F
• Molecular Formula: C₂₂H₂₈N₄O₃
• Molecular Weight: 396.49
• CAS Registry Number: 156312-08-2
• SMILES: [C@H]4(N(C1=CC=CC2=C1C(=C([NH]2)C(=O)C3=NCCC3)C[C@H](NC4=O)CO)C)C(C)C
• InChI: 1S/C22H28N4O3/c1-12(2)20-22(29)24-13(11-27)10-14-18-15(6-4-8-17(18)26(20)3)25-19(14)21(28)16-7-5-9-23-16/h4,6,8,12-13,20,25,27H,5,7,9-11H2,1-3H3,(H,24,29)/t13-,20-/m0/s1
• InChIKey: CKUVDIKBGLVWTK-RBZFPXEDSA-N

Properties

• Density: 1.383g/cm³ (Cal.)