Capreomycin IIA
[CAS# 62639-89-8]

Identification

• Name: Capreomycin IIA
• Synonyms: [(Z)-[(3S,9S,12S,15S)-15-Amino-9-(Aminomethyl)-3-[(4R)-2-Amino-3,4,5,6-Tetrahydropyrimidin-4-Yl]-2,5,8,11,14-Pentaketo-12-Methylol-1,4,7,10,13-Pentazacyclohexadec-6-Ylidene]Methyl]Urea; Brn 0875651; Capreomycin Ia, 1-De-(L-3,6-Diaminohexanoic Acid)-
• Molecular Formula: C₁₉H₃₂N₁₂O₇
• Molecular Weight: 540.54
• CAS Registry Number: 62639-89-8
• SMILES: [C@H]1(NC(=NCC1)N)[C@@H]2NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC2=O)CO)CN)=C\NC(=O)N
• InChI: 1S/C19H32N12O7/c20-3-9-14(34)28-10(5-26-19(23)38)15(35)31-12(8-1-2-24-18(22)30-8)17(37)25-4-7(21)13(33)29-11(6-32)16(36)27-9/h5,7-9,11-12,32H,1-4,6,20-21H2,(H,25,37)(H,27,36)(H,28,34)(H,29,33)(H,31,35)(H3,22,24,30)(H3,23,26,38)/b10-5-/t7-,8+,9-,11-,12-/m0/s1
• InChIKey: XFGCTBYTRMLWCB-MRSVHRRQSA-N

Properties

• Density: 1.886g/cm³ (Cal.)