O4-tert-butyl O1-[3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl] 2-azanylbutanedioate

Systemtic Name: O4-tert-butyl O1-[3-(4-oxidanylidene-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl] 2-azanylbutanedioate Openeye Name: O4-tert-butyl O1-[3-(4-oxo-5-tetradecyl-2-thioxo-1H-pyrimidin-6-yl)propyl] 2-aminobutanedioate CAS Name: 2-aminobutanedioic acid O4-tert-butyl ester O1-[3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl] ester IUPAC Name: 4-O-tert-butyl 1-O-[3-(4-oxo-2-sulfanylidene-5-tetradecyl-1H-pyrimidin-6-yl)propyl] 2-aminobutanedioate Traditional Name: 2-aminosuccinic acid O4-tert-butyl ester O1-[3-(4-keto-5-myristyl-2-thioxo-1H-pyrimidin-6-yl)propyl] ester Formula: C29H51N3O5S MolecularWeight: 553.79734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCOC(=O)C(CC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)CCCOC(=O)C(CC(=O)OC(C)(C)C)N

InChI

InChI=1S/C29H51N3O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-22-24(31-28(38)32-26(22)34)19-17-20-36-27(35)23(30)21-25(33)37-29(2,3)4/h23H,5-21,30H2,1-4H3,(H2,31,32,34,38)