[4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] (E)-hexadec-9-enoate

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]butyl] (E)-hexadec-9-enoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]butyl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-pentanoyl)oxy-butyl] ester Formula: C32H54N6O5 MolecularWeight: 602.80836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C32H54N6O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-26(39)43-22-25(19-20-42-31(41)27(33)24(3)5-2)21-38-23-35-28-29(38)36-32(34)37-30(28)40/h10-11,23-25,27H,4-9,12-22,33H2,1-3H3,(H3,34,36,37,40)/b11-10+