[(Z)-4-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-3-[(E)-2-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-5-(Pyridine-3-Carbonyloxy)Pent-2-En-3-Yl]Disulfanylpent-3-Enyl] Pyridine-3-Carboxylate
[CAS# 144722-72-5]

Identification

• Name: [(Z)-4-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-3-[(E)-2-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-5-(Pyridine-3-Carbonyloxy)Pent-2-En-3-Yl]Disulfanylpent-3-Enyl] Pyridine-3-Carboxylate
• Synonyms: [(Z)-4-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-3-[(E)-2-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-1-[2-(Pyridine-3-Carbonyloxy)Ethyl]Prop-1-Enyl]Disulfanyl-Pent-3-Enyl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [(Z)-4-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-3-[(E)-2-[Formyl-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Amino]-1-[2-[Oxo-(3-Pyridyl)Methoxy]Ethyl]Prop-1-Enyl]Disulfanylpent-3-Enyl] Ester; Nicotinic Acid [(Z)-4-[Formyl-[(4-Keto-2-Methyl-3H-Pyrimidin-5-Yl)Methyl]Amino]-3-[(E)-2-[Formyl-[(4-Keto-2-Methyl-3H-Pyrimidin-5-Yl)Methyl]Amino]-1-[2-(Pyridine-3-Carbonyloxy)Ethyl]Prop-1-Enyl]Disulfanyl-Pent-3-Enyl] Ester
• Molecular Formula: C₃₆H₃₈N₈O₈S₂
• Molecular Weight: 774.87
• CAS Registry Number: 144722-72-5
• SMILES: C1=CC=NC=C1C(OCC\C(SSC(=C(N(CC2=CN=C(NC2=O)C)C=O)/C)\CCOC(=O)C3=CN=CC=C3)=C(N(CC4=CN=C(NC4=O)C)C=O)/C)=O
• InChI: 1S/C36H38N8O8S2/c1-23(43(21-45)19-29-17-39-25(3)41-33(29)47)31(9-13-51-35(49)27-7-5-11-37-15-27)53-54-32(10-14-52-36(50)28-8-6-12-38-16-28)24(2)44(22-46)20-30-18-40-26(4)42-34(30)48/h5-8,11-12,15-18,21-22H,9-10,13-14,19-20H2,1-4H3,(H,39,41,47)(H,40,42,48)/b31-23-,32-24+
• InChIKey: DQCFFVJSPGNCNI-FNKNYVMZSA-N

Properties

• Density: 1.364g/cm³ (Cal.)