[2-(acetyloxymethyl)-4-[3-[9-[3-[2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-bis(oxidanyl)cyclobutyl]-2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-bis(oxidanyl)cyclobutyl]-1,3-dihydroperimidin-2-yl]methyl hexanoate

Systemtic Name: [2-(acetyloxymethyl)-4-[3-[9-[3-[2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-bis(oxidanyl)cyclobutyl]-2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-bis(oxidanyl)cyclobutyl]-1,3-dihydroperimidin-2-yl]methyl hexanoate Openeye Name: [2-(acetoxymethyl)-4-[3-[9-[3-[2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxy-cyclobutyl]-2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxy-cyclobutyl]-1,3-dihydroperimidin-2-yl]methyl hexanoate CAS Name: hexanoic acid [2-(acetyloxymethyl)-4-[3-[9-[3-[2,2-bis(1-oxohexoxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxycyclobutyl]-2,2-bis(1-oxohexoxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxycyclobutyl]-1,3-dihydroperimidin-2-yl]methyl ester IUPAC Name: [2-(acetyloxymethyl)-4-[3-[9-[3-[2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxycyclobutyl]-2,2-bis(hexanoyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxycyclobutyl]-1,3-dihydroperimidin-2-yl]methyl hexanoate Traditional Name: hexanoic acid [2-(acetoxymethyl)-4-[3-[9-[3-[2,2-bis(caproyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxy-cyclobutyl]-2,2-bis(caproyloxymethyl)-1,3-dihydroperimidin-4-yl]-2,4-dihydroxy-cyclobutyl]-1,3-dihydroperimidin-2-yl]methyl ester Formula: C79H102N6O16 MolecularWeight: 1391.68578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4O)C5=C6C7=C(C=C5)C=CC(=C7NC(N6)(COC(=O)CCCCC)COC(=O)CCCCC)C8C(C(C8O)C9=C2C3=C(C=CC=C3NC(N2)(COC(=O)CCCCC)COC(=O)CCCCC)C=C9)O)O)N1)COC(=O)C

Isomeric SMILES

CCCCCC(=O)OCC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4O)C5=C6C7=C(C=C5)C=CC(=C7NC(N6)(COC(=O)CCCCC)COC(=O)CCCCC)C8C(C(C8O)C9=C2C3=C(C=CC=C3NC(N2)(COC(=O)CCCCC)COC(=O)CCCCC)C=C9)O)O)N1)COC(=O)C

InChI

InChI=1S/C79H102N6O16/c1-7-12-17-28-57(87)97-42-77(41-96-47(6)86)80-55-26-22-24-48-33-37-51(69(82-77)62(48)55)65-73(92)67(74(65)93)53-39-35-50-36-40-54(72-64(50)71(53)84-79(85-72,45-100-60(90)31-20-15-10-4)46-101-61(91)32-21-16-11-5)68-75(94)66(76(68)95)52-38-34-49-25-23-27-56-63(49)70(52)83-78(81-56,43-98-58(88)29-18-13-8-2)44-99-59(89)30-19-14-9-3/h22-27,33-40,65-68,73-76,80-85,92-95H,7-21,28-32,41-46H2,1-6H3