Nafpenzal
[CAS# 78232-17-4]

Identification

• Name: Nafpenzal
• Synonyms: Disodium; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-4-(Hydroxymethyl)-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-5-Guanidino-3,4,6-Trihydroxy-Cyclohexyl]Guanidine; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; (2S,5R,6R)-6-[(2-Ethoxynaphthalene-1-Carbonyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sulfuric Acid; Disodium
• Molecular Formula: C₇₉H₁₂₆N₁₈Na₂O₄₅S₅
• Molecular Weight: 2254.24
• CAS Registry Number: 78232-17-4
• SMILES: O([C@@H]1O[C@H]([C@@](O)([C@H]1O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2NC)CO)CO)C)[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O.O([C@@H]4O[C@H]([C@@](O)([C@H]4O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@@H]5NC)CO)CO)C)[C@@H]6[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]6O.[C@H]78SC([C@@H](N7C(=O)[C@H]8NC(=O)CC9=CC=CC=C9)C([O-])=O)(C)C.[C@H]%10%11SC([C@@H](N%10C(=O)[C@H]%11NC(=O)C%12=C(OCC)C=CC%13=CC=CC=C%12%13)C([O-])=O)(C)C.O=[S](O)(O)=O.O=[S](O)(O)=O.O=[S](O)(O)=O.[Na+].[Na+]
• InChI: 1S/2C21H41N7O12.C21H22N2O5S.C16H18N2O4S.2Na.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;;;3*1-5(2,3)4/h2*5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);;;3*(H2,1,2,3,4)/q;;;;2*+1;;;/p-2/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;15-,16+,19-;11-,12+,14-;;;;;/m0011...../s1
• InChIKey: RHWGKUMGNOQCBA-XXQRSETKSA-L