Trichogin A IV
[CAS# 138531-93-8]

Identification

• Name: Trichogin A IV
• Synonyms: N-[2-[[2-[[1-[[2-[[2-[[2-[[1-[[2-[[2-[[1-[[1-(Hydroxymethyl)-3-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-1,1-Dimethyl-2-Oxo-Ethyl]Octanamide; N-[2-[[2-[[1-[[[2-[[2-[[2-[[1-[[[2-[[2-[[1-[[[1-(Hydroxymethyl)-3-Methylbutyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-2-Oxoethyl]Amino]-1,1-Dimethyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-1,1-Dimethyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-1,1-Dimethyl-2-Oxoethyl]Octanamide; N-[2-Keto-2-[[2-Keto-2-[[1-[[2-Keto-2-[[2-Keto-2-[[2-Keto-2-[[1-[[2-Keto-2-[[2-Keto-2-[[2-Methyl-1-[(3-Methyl-1-Methylol-Butyl)Carbamoyl]Butyl]Amino]Ethyl]Amino]-1,1-Dimethyl-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]Ethyl]Amino]Ethyl]Amino]-1,1-Dimethyl-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]Ethyl]Amino]-1,1-Dimethyl-Ethyl]Caprylamide
• Molecular Formula: C₅₂H₉₅N₁₁O₁₂
• Molecular Weight: 1066.39
• CAS Registry Number: 138531-93-8
• SMILES: C(C(C(NC(C(NCC(NC(C(NC(CC(C)C)CO)=O)C(CC)C)=O)=O)(C)C)=O)NC(=O)CNC(=O)CNC(C(NC(C(NC(=O)CNC(C(NC(=O)CCCCCCC)(C)C)=O)CC(C)C)=O)(C)C)=O)C(C)C
• InChI: 1S/C52H95N11O12/c1-16-18-19-20-21-22-38(65)61-50(10,11)47(73)55-28-41(68)59-37(25-33(7)8)45(71)62-51(12,13)48(74)54-26-39(66)53-27-40(67)58-36(24-32(5)6)44(70)63-52(14,15)49(75)56-29-42(69)60-43(34(9)17-2)46(72)57-35(30-64)23-31(3)4/h31-37,43,64H,16-30H2,1-15H3,(H,53,66)(H,54,74)(H,55,73)(H,56,75)(H,57,72)(H,58,67)(H,59,68)(H,60,69)(H,61,65)(H,62,71)(H,63,70)
• InChIKey: LZAAXJCEERCDPT-UHFFFAOYSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 1363.659°C at 760 mmHg (Cal.)
• Flash point: 778.513°C (Cal.)