[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-Hydroxy-4-Oxo-1,3a,5,6,7,7a-Hexahydroimidazo[4,5-c]Pyridin-2-Yl]Amino]-5-[[(3S)-3,6-Diaminohexanoyl]Amino]-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl] Carbamate
[CAS# 3808-42-2]

Identification

• Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-Hydroxy-4-Oxo-1,3a,5,6,7,7a-Hexahydroimidazo[4,5-c]Pyridin-2-Yl]Amino]-5-[[(3S)-3,6-Diaminohexanoyl]Amino]-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl] Carbamate
• Synonyms: [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-4-Oxo-1,3A,5,6,7,7A-Hexahydroimidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[[(3S)-3,6-Diaminohexanoyl]Amino]-4-Hydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl] Carbamate; Carbamic Acid [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-4-Oxo-1,3A,5,6,7,7A-Hexahydroimidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[[(3S)-3,6-Diamino-1-Oxohexyl]Amino]-4-Hydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl] Ester; Carbamic Acid [(2R,3R,4S,5R,6R)-6-[[(3As,7R,7As)-7-Hydroxy-4-Keto-1,3A,5,6,7,7A-Hexahydroimidazo[4,5-C]Pyridin-2-Yl]Amino]-5-[[(3S)-3,6-Diaminohexanoyl]Amino]-4-Hydroxy-2-Methylol-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₁₉H₃₄N₈O₈
• Molecular Weight: 502.53
• CAS Registry Number: 3808-42-2
• SMILES: [C@@H]1(O)CNC(=O)[C@H]2N=C(N[C@H]12)N[C@@H]3O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]3NC(C[C@H](CCCN)N)=O
• InChI: 1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1
• InChIKey: NRAUADCLPJTGSF-VLSXYIQESA-N

Properties

• Density: 1.91g/cm³ (Cal.)