Antibiotic TL 119
[CAS# 55599-68-3]

Identification

• Name: Antibiotic TL 119
• Synonyms: 2-[(2-Acetamido-3-Phenyl-Propanoyl)Amino]-N-[2-[[(3E)-3-Ethylidene-9-Isopropyl-6,13-Dimethyl-2,5,8,11-Tetraoxo-1-Oxa-4,7,10-Triazacyclotridec-12-Yl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-4-Methyl-Pentanamide; 2-[(2-Acetamido-1-Oxo-3-Phenylpropyl)Amino]-N-[2-[[(3E)-3-Ethylidene-9-Isopropyl-6,13-Dimethyl-2,5,8,11-Tetraoxo-1-Oxa-4,7,10-Triazacyclotridec-12-Yl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-4-Methylpentanamide; 2-[(2-Acetamido-3-Phenyl-Propanoyl)Amino]-N-[1-(Benzyl)-2-[[(3E)-3-Ethylidene-9-Isopropyl-2,5,8,11-Tetraketo-6,13-Dimethyl-1-Oxa-4,7,10-Triazacyclotridec-12-Yl]Amino]-2-Keto-Ethyl]-4-Methyl-Valeramide
• Molecular Formula: C₄₂H₅₇N₇O₉
• Molecular Weight: 803.95
• CAS Registry Number: 55599-68-3
• SMILES: C3=C(CC(C(NC1C(OC(\C(NC(C(NC(C(NC1=O)C(C)C)=O)C)=O)=C/C)=O)C)=O)NC(C(NC(=O)C(NC(C)=O)CC2=CC=CC=C2)CC(C)C)=O)C=CC=C3
• InChI: 1S/C42H57N7O9/c1-9-30-42(57)58-26(7)35(41(56)48-34(24(4)5)40(55)43-25(6)36(51)45-30)49-39(54)33(22-29-18-14-11-15-19-29)47-37(52)31(20-23(2)3)46-38(53)32(44-27(8)50)21-28-16-12-10-13-17-28/h9-19,23-26,31-35H,20-22H2,1-8H3,(H,43,55)(H,44,50)(H,45,51)(H,46,53)(H,47,52)(H,48,56)(H,49,54)/b30-9+
• InChIKey: SGGJJTTZBRPIKP-OOEWDAAOSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 1230.987°C at 760 mmHg (Cal.)
• Flash point: 698.276°C (Cal.)