Nikkomycin Pseudo-J
[CAS# 120796-22-7]

Identification

• Name: Nikkomycin Pseudo-J
• Synonyms: (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridyl)-3-Methyl-Butanoyl]Amino]-2-[5-(2,4-Dioxo-1H-Pyrimidin-5-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridyl)-3-Methyl-1-Oxobutyl]Amino]-2-[5-(2,4-Dioxo-1H-Pyrimidin-5-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-1-Oxoethyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-Amino-4-Hydroxy-4-(5-Hydroxy-2-Pyridyl)-3-Methyl-Butanoyl]Amino]-2-[5-(2,4-Diketo-1H-Pyrimidin-5-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetyl]Amino]Glutaric Acid
• Molecular Formula: C₂₅H₃₂N₆O₁₃
• Molecular Weight: 624.56
• CAS Registry Number: 120796-22-7
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](N)[C@@H]([C@@H](C1=NC=C(C=C1)O)O)C)=O)C2OC(C(C2O)O)C3=CNC(NC3=O)=O)=O)CCC(=O)O
• InChI: 1S/C25H32N6O13/c1-8(16(35)11-3-2-9(32)6-27-11)14(26)22(39)30-15(23(40)29-12(24(41)42)4-5-13(33)34)20-18(37)17(36)19(44-20)10-7-28-25(43)31-21(10)38/h2-3,6-8,12,14-20,32,35-37H,4-5,26H2,1H3,(H,29,40)(H,30,39)(H,33,34)(H,41,42)(H2,28,31,38,43)/t8-,12-,14-,15-,16-,17?,18?,19?,20?/m0/s1
• InChIKey: ZWCOQJINVKEJCM-RXFLJLMGSA-N

Properties

• Density: 1.612g/cm³ (Cal.)