N(gamma)-(Octyl)Glutaminyl-Uracil Polyoxin C
[CAS# 100566-82-3]

Identification

• Name: N(gamma)-(Octyl)Glutaminyl-Uracil Polyoxin C
• Synonyms: (2S)-2-[[(2S)-2-Amino-5-(Octylamino)-5-Oxo-Pentanoyl]Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid; (2S)-2-[[(2S)-2-Amino-5-(Octylamino)-1,5-Dioxopentyl]Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Acetic Acid; (2S)-2-[[(2S)-2-Amino-5-Keto-5-(Octylamino)Pentanoyl]Amino]-2-[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Acetic Acid
• Molecular Formula: C₂₃H₃₇N₅O₉
• Molecular Weight: 527.57
• CAS Registry Number: 100566-82-3
• SMILES: [C@@H]2(O[C@@H](N1C(=O)NC(=O)C=C1)[C@H](O)[C@@H]2O)[C@H](NC(=O)[C@@H](N)CCC(=O)NCCCCCCCC)C(=O)O
• InChI: 1S/C23H37N5O9/c1-2-3-4-5-6-7-11-25-14(29)9-8-13(24)20(33)27-16(22(34)35)19-17(31)18(32)21(37-19)28-12-10-15(30)26-23(28)36/h10,12-13,16-19,21,31-32H,2-9,11,24H2,1H3,(H,25,29)(H,27,33)(H,34,35)(H,26,30,36)/t13-,16-,17-,18+,19+,21+/m0/s1
• InChIKey: YQGYFFJGEABGAY-CAFBTOGLSA-N

Properties

• Density: 1.36g/cm³ (Cal.)