Adouetine Z
[CAS# 19542-40-6]

Identification

• Name: Adouetine Z
• Synonyms: (2S)-1-[(2S)-2-Dimethylamino-3-Phenyl-Propanoyl]-N-[(3R,4S,7S,10Z)-5,8-Dioxo-3-Phenyl-7-(Phenylmethyl)-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2S)-2-Dimethylamino-1-Oxo-3-Phenylpropyl]-N-[(3R,4S,7S,10Z)-5,8-Dioxo-3-Phenyl-7-(Phenylmethyl)-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-2-Pyrrolidinecarboxamide; (2S)-N-[(3R,4S,7S,10Z)-7-(Benzyl)-5,8-Diketo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),10,12(16),13-Tetraen-4-Yl]-1-[(2S)-2-Dimethylamino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₂H₄₅N₅O₅
• Molecular Weight: 699.85
• CAS Registry Number: 19542-40-6
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N(C)C)CC2=CC=CC=C2)C(=O)N[C@H]4[C@H](OC3=CC=C(C=C3)\C=C/NC(=O)[C@@H](NC4=O)CC5=CC=CC=C5)C6=CC=CC=C6
• InChI: 1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1
• InChIKey: WQGSMNQYDWWZGF-RLLMKXODSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 993.116°C at 760 mmHg (Cal.)
• Flash point: 554.417°C (Cal.)