Bottromycin A(2)
[CAS# 15005-62-6]

Identification

• Name: Bottromycin A(2)
• Synonyms: Methyl 3-[[2-[[2-[(6-Tert-Butyl-9-Isopropyl-13-Methyl-2,8,11-Trioxo-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadec-4-En-5-Yl)Amino]-3,3-Dimethyl-Butanoyl]Amino]-3-Phenyl-Butanoyl]Amino]-3-Thiazol-2-Yl-Propanoate; 3-[[2-[[2-[(6-Tert-Butyl-9-Isopropyl-13-Methyl-2,8,11-Trioxo-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadec-4-En-5-Yl)Amino]-3,3-Dimethyl-1-Oxobutyl]Amino]-1-Oxo-3-Phenylbutyl]Amino]-3-(2-Thiazolyl)Propanoic Acid Methyl Ester; 3-[[2-[[2-[(6-Tert-Butyl-9-Isopropyl-2,8,11-Triketo-13-Methyl-1,4,7,10-Tetrazabicyclo[10.3.0]Pentadec-4-En-5-Yl)Amino]-3,3-Dimethyl-Butanoyl]Amino]-3-Phenyl-Butanoyl]Amino]-3-Thiazol-2-Yl-Propionic Acid Methyl Ester
• Molecular Formula: C₄₂H₆₂N₈O₇S
• Molecular Weight: 823.06
• CAS Registry Number: 15005-62-6
• SMILES: C4=C(C(C(NC(=O)C(NC1=NCC(=O)N2C(C(=O)NC(C(=O)NC1C(C)(C)C)C(C)C)C(CC2)C)C(C)(C)C)C(=O)NC(C3=NC=CS3)CC(OC)=O)C)C=CC=C4
• InChI: 1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)
• InChIKey: KSIZLOPUXFSFNR-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1056.7±65.0°C at 760 mmHg (Cal.)
• Flash point: 592.9±34.3°C (Cal.)