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Capreomycin IIB [62639-90-1]

 
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Identification
Copyright
CAS # 62639-90-1, Capreomycin IIB
Name
Capreomycin IIB
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-Methyl-1,4,7,10,13-Pentazacyclohexadec-6-Ylidene]Methyl]Urea; Capreomycin Ia, 1-De-(L-3,6-Diaminohexanoic Acid)-6-L-Alanine; Capreomycin Iib
Molecular Formula
C19H32N12O6
Molecular Weight 524.54
CAS Registry Number
62639-90-1
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)C)CN)=C\NC(=O)N
InChI
1S/C19H32N12O6/c1-7-13(32)28-10(4-20)15(34)29-11(6-26-19(23)37)16(35)31-12(9-2-3-24-18(22)30-9)17(36)25-5-8(21)14(33)27-7/h6-10,12H,2-5,20-21H2,1H3,(H,25,36)(H,27,33)(H,28,32)(H,29,34)(H,31,35)(H3,22,24,30)(H3,23,26,37)/b11-6-/t7-,8-,9+,10-,12-/m0/s1
InChIKey MHBQQDNEPQYCOS-CBQPQWBASA-N
down Properties
Desity 1.818g/cm3 (Cal.)  ref.
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