Trichovirin I-1B
[CAS# 137042-20-7]

Identification

• Name: Trichovirin I-1B
• Synonyms: (2S)-2-[(2-Acetamido-2-Methyl-Propanoyl)Amino]-N-[(1S)-1-[[2-[(2S)-2-[[(1S)-1-(Hydroxymethyl)-2-[[(1S)-1-[[2-[(2S)-2-[[2-[[(1S)-1-[[2-[(2S)-2-[[(1S)-1-(Hydroxymethyl)-3-Methyl-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1,1-Dimethyl-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Butanediamide; (2S)-2-[(2-Acetamido-2-Methyl-Propanoyl)Amino]-N-[(1S)-1-[[2-Keto-2-[(2S)-2-[[(1S)-2-Keto-2-[[(1S)-1-[[2-Keto-2-[(2S)-2-[[2-Keto-2-[[(1S)-1-[[2-Keto-1,1-Dimethyl-2-[(2S)-2-[[(1S)-3-Methyl-1-Methylol-Butyl]Carbamoyl]Pyrrolidin-1-Yl]Ethyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1,1-Dimethyl-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1,1-Dimethyl-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methylol-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1,1-Dimethyl-Ethyl]Carbamoyl]-3-Methyl-Butyl]Succinamide; (2S)-2-[(2-Acetamido-2-Methyl-Propanoyl)Amino]-N-[(2S)-1-[[1-[(2S)-2-[[(2S)-3-Hydroxy-1-[[(2S)-1-[[1-[(2S)-2-[[1-[[(2S)-1-[[1-[(2S)-2-[[(2S)-1-Hydroxy-4-Methyl-Pentan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-2-Methyl-1-Oxo-Propan-2-Yl]Amino]-4-Methyl-1-Oxo-Pentan-2-Yl]Amino]-2-Methyl-1-Oxo-Propan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-2-Methyl-1-Oxo-Propan-2-Yl]Amino]-3-Methyl-1-Oxo-Butan-2-Yl]Amino]-1-Oxo-Propan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]-2-Methyl-1-Oxo-Propan-2-Yl]Amino]-4-Methyl-1-Oxo-Pentan-2-Yl]Butanediamide
• Molecular Formula: C₆₇H₁₁₅N₁₅O₁₇
• Molecular Weight: 1402.74
• CAS Registry Number: 137042-20-7 (167257-43-4)
• SMILES: [C@@H](NC(C(C)(C)NC([C@H]2N(C(C(NC([C@@H](NC([C@@H](NC([C@H]1N(C(C(NC([C@@H](NC([C@H](CC(N)=O)NC(C(NC(C)=O)(C)C)=O)=O)CC(C)C)=O)(C)C)=O)CCC1)=O)CO)=O)C(C)C)=O)(C)C)=O)CCC2)=O)=O)(C(NC(C)(C)C(N3[C@@H](CCC3)C(=O)N[C@@H](CC(C)C)CO)=O)=O)CC(C)C
• InChI: 1S/C67H115N15O17/c1-35(2)29-40(33-83)69-54(91)45-23-20-26-80(45)60(97)66(16,17)77-53(90)42(31-37(5)6)72-59(96)64(12,13)78-56(93)47-25-22-28-82(47)62(99)67(18,19)79-57(94)49(38(7)8)74-51(88)44(34-84)71-55(92)46-24-21-27-81(46)61(98)65(14,15)76-52(89)41(30-36(3)4)70-50(87)43(32-48(68)86)73-58(95)63(10,11)75-39(9)85/h35-38,40-47,49,83-84H,20-34H2,1-19H3,(H2,68,86)(H,69,91)(H,70,87)(H,71,92)(H,72,96)(H,73,95)(H,74,88)(H,75,85)(H,76,89)(H,77,90)(H,78,93)(H,79,94)/t40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
• InChIKey: ZLJDXWKMSSANHK-HMPCVODFSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 1637.333°C at 760 mmHg (Cal.)
• Flash point: 944.025°C (Cal.)