N-[13-Butan-2-Yl-12-Hydroxy-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-3-(2-Methylpropyl)-2,5,7,10,15,19,22-Heptaoxo-8-Propyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-2-(2-Hydroxypropanoyl-Methylamino)-4-Methylpentanamide
[CAS# 77327-06-1]

Identification

• Name: N-[13-Butan-2-Yl-12-Hydroxy-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-3-(2-Methylpropyl)-2,5,7,10,15,19,22-Heptaoxo-8-Propyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-2-(2-Hydroxypropanoyl-Methylamino)-4-Methylpentanamide
• Synonyms: N-[12-Hydroxy-3-Isobutyl-2,5,7,10,15,19,22-Heptaketo-20-(4-Methoxybenzyl)-6,17,21-Trimethyl-8-Propyl-13-Sec-Butyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-2-(Lactoyl-Methyl-Amino)-4-Methyl-Valeramide; N-[12-Hydroxy-3-Isobutyl-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-2,5,7,10,15,19,22-Heptaoxo-8-Propyl-13-Sec-Butyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-2-(2-Hydroxypropanoyl-Methyl-Amino)-4-Methyl-Pentanamide; N-[12-Hydroxy-3-Isobutyl-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-2,5,7,10,15,19,22-Heptaoxo-8-Propyl-13-Sec-Butyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-2-[(2-Hydroxy-1-Oxopropyl)-Methylamino]-4-Methylpentanamide
• Molecular Formula: C₅₂H₈₂N₆O₁₄
• Molecular Weight: 1015.25
• CAS Registry Number: 77327-06-1
• SMILES: C3=C(CC1N(C(=O)C2N(C(=O)C(NC(=O)C(C(=O)C(OC(=O)CC(O)C(NC(=O)C(NC(=O)C(N(C(=O)C(O)C)C)CC(C)C)C(OC1=O)C)C(CC)C)CCC)C)CC(C)C)CCC2)C)C=CC(=C3)OC
• InChI: 1S/C52H82N6O14/c1-14-17-41-45(62)31(8)46(63)53-36(24-28(3)4)50(67)58-23-16-18-37(58)51(68)57(12)39(26-34-19-21-35(70-13)22-20-34)52(69)71-33(10)44(48(65)54-43(30(7)15-2)40(60)27-42(61)72-41)55-47(64)38(25-29(5)6)56(11)49(66)32(9)59/h19-22,28-33,36-41,43-44,59-60H,14-18,23-27H2,1-13H3,(H,53,63)(H,54,65)(H,55,64)
• InChIKey: DLUUHFDUSRYNBE-UHFFFAOYSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 1199.094°C at 760 mmHg (Cal.)
• Flash point: 678.987°C (Cal.)