Dihydrotentoxin
[CAS# 54987-63-2]

Identification

• Name: Dihydrotentoxin
• Synonyms: (2S)-4-Methyl-N-[(2R)-2-Methylamino-3-Phenyl-Propanoyl]-2-[[(2S)-2-Methylaminopropanoyl]Amino]-N-(2-Oxoethyl)Pent-4-Enamide; (2S)-4-Methyl-N-[(2R)-2-Methylamino-1-Oxo-3-Phenylpropyl]-2-[[(2S)-2-Methylamino-1-Oxopropyl]Amino]-N-(2-Oxoethyl)Pent-4-Enamide; (2S)-N-(2-Ketoethyl)-4-Methyl-N-[(2R)-2-Methylamino-3-Phenyl-Propanoyl]-2-[[(2S)-2-Methylaminopropanoyl]Amino]Pent-4-Enamide
• Molecular Formula: C₂₂H₃₂N₄O₄
• Molecular Weight: 416.52
• CAS Registry Number: 54987-63-2
• SMILES: [C@@H](C(N(CC=O)C([C@@H](NC([C@@H](NC)C)=O)CC(C)=C)=O)=O)(NC)CC1=CC=CC=C1
• InChI: 1S/C22H32N4O4/c1-15(2)13-19(25-20(28)16(3)23-4)22(30)26(11-12-27)21(29)18(24-5)14-17-9-7-6-8-10-17/h6-10,12,16,18-19,23-24H,1,11,13-14H2,2-5H3,(H,25,28)/t16-,18+,19-/m0/s1
• InChIKey: KMJMUFMAMDFUQZ-UHOSZYNNSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 612.824°C at 760 mmHg (Cal.)
• Flash point: 324.425°C (Cal.)