Antibiotic Ll-Ab 664
[CAS# 71950-48-6]

Identification

• Name: Antibiotic Ll-Ab 664
• Synonyms: [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-5-Methyl-4-Oxo-3A,6,7,7A-Tetrahydro-1H-Imidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[[2-(Aminomethyleneamino)Acetyl]-Methyl-Amino]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl] Carbamate; Carbamic Acid [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-5-Methyl-4-Oxo-3A,6,7,7A-Tetrahydro-1H-Imidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[[2-(Aminomethyleneamino)-1-Oxoethyl]-Methylamino]-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; Carbamic Acid [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-4-Keto-5-Methyl-3A,6,7,7A-Tetrahydro-1H-Imidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[[2-(Aminomethyleneamino)Acetyl]-Methyl-Amino]-4-Hydroxy-2-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₁₈H₃₀N₈O₈
• Molecular Weight: 486.48
• CAS Registry Number: 71950-48-6 (29266-98-6)
• SMILES: [C@H]12N=C(N[C@@H]1[C@H](O)CN(C2=O)C)N[C@@H]3O[C@@H]([C@H](OC(=O)N)[C@@H](O)[C@H]3N(C(=O)CN=CN)C)CO
• InChI: 1S/C18H30N8O8/c1-25-4-7(28)10-11(16(25)31)23-18(22-10)24-15-12(26(2)9(29)3-21-6-19)13(30)14(34-17(20)32)8(5-27)33-15/h6-8,10-15,27-28,30H,3-5H2,1-2H3,(H2,19,21)(H2,20,32)(H2,22,23,24)/t7-,8-,10-,11+,12-,13+,14+,15-/m1/s1
• InChIKey: VMULEITVZASJMA-BBLFBTFMSA-N

Properties

• Density: 1.833g/cm³ (Cal.)
• Boiling point: 876.422°C at 760 mmHg (Cal.)
• Flash point: 483.843°C (Cal.)