3-Methyl-2-(Methylamino)Butanoic Acid 1-Phenyl-3-[2-(4-Hydroxyphenyl)Ethenylamino]-3-Oxo-2-[[2-[(3-Hydroxy-3-Phenyl-2-(Dimethylamino)-1-Oxopropyl)Amino]-3-Methyl-1-Oxo-2-Butenyl]Amino]Propyl Ester
[CAS# 22326-90-5]

Identification

• Name: 3-Methyl-2-(Methylamino)Butanoic Acid 1-Phenyl-3-[2-(4-Hydroxyphenyl)Ethenylamino]-3-Oxo-2-[[2-[(3-Hydroxy-3-Phenyl-2-(Dimethylamino)-1-Oxopropyl)Amino]-3-Methyl-1-Oxo-2-Butenyl]Amino]Propyl Ester
• Synonyms: [(1S,2R)-2-[[2-[[(2R,3S)-2-Dimethylamino-3-Hydroxy-3-Phenyl-Propanoyl]Amino]-3-Methyl-But-2-Enoyl]Amino]-3-[[(Z)-2-(4-Hydroxyphenyl)Vinyl]Amino]-3-Oxo-1-Phenyl-Propyl] (2S)-3-Methyl-2-Methylamino-Butanoate; (2S)-3-Methyl-2-Methylaminobutanoic Acid [(1S,2R)-2-[[2-[[(2R,3S)-2-Dimethylamino-3-Hydroxy-1-Oxo-3-Phenylpropyl]Amino]-3-Methyl-1-Oxobut-2-Enyl]Amino]-3-[[(Z)-2-(4-Hydroxyphenyl)Vinyl]Amino]-3-Oxo-1-Phenylpropyl] Ester; (2S)-3-Methyl-2-Methylamino-Butyric Acid [(1S,2R)-2-[[2-[[(2R,3S)-2-Dimethylamino-3-Hydroxy-3-Phenyl-Propanoyl]Amino]-3-Methyl-But-2-Enoyl]Amino]-3-[[(Z)-2-(4-Hydroxyphenyl)Vinyl]Amino]-3-Keto-1-Phenyl-Propyl] Ester
• Molecular Formula: C₃₉H₄₉N₅O₇
• Molecular Weight: 699.85
• CAS Registry Number: 22326-90-5
• SMILES: [C@H](NC)(C(C)C)C(O[C@H]([C@@H](NC(=O)C(NC(=O)[C@H](N(C)C)[C@@H](O)C1=CC=CC=C1)=C(C)C)C(=O)N\C=C/C2=CC=C(O)C=C2)C3=CC=CC=C3)=O
• InChI: 1S/C39H49N5O7/c1-24(2)30(42-38(49)33(44(6)7)34(46)27-14-10-8-11-15-27)37(48)43-32(36(47)41-23-22-26-18-20-29(45)21-19-26)35(28-16-12-9-13-17-28)51-39(50)31(40-5)25(3)4/h8-23,25,31-35,40,45-46H,1-7H3,(H,41,47)(H,42,49)(H,43,48)/b23-22-/t31-,32+,33+,34-,35-/m0/s1
• InChIKey: HXLYZPGZSZWTSW-ISFPBDNKSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 964.316°C at 760 mmHg (Cal.)
• Flash point: 536.999°C (Cal.)