(2S)-2-Amino-N-[(2S,5R,7E,9E,11R,13S)-2-Amino-5-Formyl-13-Hydroxy-4-(4-Hydroxy-3-Iodophenyl)-7,9,11-Trimethyl-3,6-Dioxotetradeca-7,9-Dien-5-Yl]-N-Methylpropanamide
[CAS# 108675-63-4]

Identification

• Name: (2S)-2-Amino-N-[(2S,5R,7E,9E,11R,13S)-2-Amino-5-Formyl-13-Hydroxy-4-(4-Hydroxy-3-Iodophenyl)-7,9,11-Trimethyl-3,6-Dioxotetradeca-7,9-Dien-5-Yl]-N-Methylpropanamide
• Synonyms: (2S)-2-Amino-N-[(1R,3E,5E,7R,9S)-1-[(3S)-3-Amino-1-(4-Hydroxy-3-Iodo-Phenyl)-2-Oxo-Butyl]-1-Formyl-9-Hydroxy-3,5,7-Trimethyl-2-Oxo-Deca-3,5-Dienyl]-N-Methyl-Propanamide; (2S)-2-Amino-N-[(1R,3E,5E,7R,9S)-1-[(3S)-3-Amino-1-(4-Hydroxy-3-Iodophenyl)-2-Oxobutyl]-1-Formyl-9-Hydroxy-3,5,7-Trimethyl-2-Oxodeca-3,5-Dienyl]-N-Methylpropanamide; (2S)-2-Amino-N-[(1R,3E,5E,7R,9S)-1-[(3S)-3-Amino-1-(4-Hydroxy-3-Iodo-Phenyl)-2-Keto-Butyl]-1-Formyl-9-Hydroxy-2-Keto-3,5,7-Trimethyl-Deca-3,5-Dienyl]-N-Methyl-Propionamide
• Molecular Formula: C₂₈H₄₀IN₃O₆
• Molecular Weight: 641.55
• CAS Registry Number: 108675-63-4
• SMILES: [C@@](N(C(=O)[C@@H](N)C)C)(C(C1=CC(=C(O)C=C1)I)C(=O)[C@@H](N)C)(C(=O)C(=C/C(=C/[C@@H](C[C@@H](O)C)C)C)/C)C=O
• InChI: 1S/C28H40IN3O6/c1-15(10-16(2)12-18(4)34)11-17(3)26(37)28(14-33,32(7)27(38)20(6)31)24(25(36)19(5)30)21-8-9-23(35)22(29)13-21/h8-11,13-14,16,18-20,24,34-35H,12,30-31H2,1-7H3/b15-10+,17-11+/t16-,18-,19-,20-,24?,28-/m0/s1
• InChIKey: AAHYELOHRHVDCH-REKDNMJYSA-N

Properties

• Density: 1.386g/cm³ (Cal.)
• Boiling point: 696.811°C at 760 mmHg (Cal.)
• Flash point: 375.218°C (Cal.)