Dolastatin 15
[CAS# 123884-00-4]

Identification

• Name: Dolastatin 15
• Synonyms: [1-[3-Methoxy-5-Oxo-2-(Phenylmethyl)2H-Pyrrole-1-Carbonyl]-2-Methyl-Propyl] 1-[1-[2-[[2-[(2-Dimethylamino-3-Methyl-Butanoyl)Amino]-3-Methyl-Butanoyl]-Methyl-Amino]-3-Methyl-Butanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carboxylate; 1-[[1-[2-[[2-[(2-Dimethylamino-3-Methyl-1-Oxobutyl)Amino]-3-Methyl-1-Oxobutyl]-Methylamino]-3-Methyl-1-Oxobutyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinecarboxylic Acid [1-[[3-Methoxy-5-Oxo-2-(Phenylmethyl)-2H-Pyrrol-1-Yl]-Oxomethyl]-2-Methylpropyl] Ester; 1-[1-[2-[[2-[(2-Dimethylamino-3-Methyl-Butanoyl)Amino]-3-Methyl-Butanoyl]-Methyl-Amino]-3-Methyl-Butanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carboxylic Acid [1-[2-(Benzyl)-5-Keto-3-Methoxy-3-Pyrroline-1-Carbonyl]-2-Methyl-Propyl] Ester
• Molecular Formula: C₄₅H₆₈N₆O₉
• Molecular Weight: 837.07
• CAS Registry Number: 123884-00-4
• SMILES: C4=C(CC3N(C(C(OC(C2N(C(C1N(C(C(N(C(C(NC(C(C(C)C)N(C)C)=O)C(C)C)=O)C)C(C)C)=O)CCC1)=O)CCC2)=O)C(C)C)=O)C(C=C3OC)=O)C=CC=C4
• InChI: 1S/C45H68N6O9/c1-26(2)36(46-40(53)37(27(3)4)47(9)10)42(55)48(11)38(28(5)6)43(56)49-22-16-20-31(49)41(54)50-23-17-21-32(50)45(58)60-39(29(7)8)44(57)51-33(34(59-12)25-35(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-33,36-39H,16-17,20-24H2,1-12H3,(H,46,53)
• InChIKey: LQKSHSFQQRCAFW-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 954.01°C at 760 mmHg (Cal.)
• Flash point: 530.766°C (Cal.)