[5-(4-azanyl-5-dodecanoyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl 2,6-bis(azanyl)hexanoate

Systemtic Name: [5-(4-azanyl-5-dodecanoyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl 2,6-bis(azanyl)hexanoate Openeye Name: [5-(4-amino-5-dodecanoyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [5-[4-amino-2-oxo-5-(1-oxododecyl)-1-pyrimidinyl]-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-5-dodecanoyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [5-(4-amino-2-keto-5-lauroyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H47N5O6 MolecularWeight: 537.69198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C(CCCCN)N)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN(C(=O)N=C1N)C2CC(C(O2)COC(=O)C(CCCCN)N)O

InChI

InChI=1S/C27H47N5O6/c1-2-3-4-5-6-7-8-9-10-14-21(33)19-17-32(27(36)31-25(19)30)24-16-22(34)23(38-24)18-37-26(35)20(29)13-11-12-15-28/h17,20,22-24,34H,2-16,18,28-29H2,1H3,(H2,30,31,36)