tert-butyl (3R)-3-[[(1S)-2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]dodecanoate

Systemtic Name: tert-butyl (3R)-3-[[(1S)-2-(methylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]dodecanoate Openeye Name: tert-butyl (3R)-3-[[(1S)-2-(methylamino)-2-oxo-1-phenyl-ethyl]carbamoyl]dodecanoate CAS Name: (3R)-3-[[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-oxomethyl]dodecanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]dodecanoate Traditional Name: (3R)-3-[[(1S)-2-keto-2-(methylamino)-1-phenyl-ethyl]carbamoyl]lauric acid tert-butyl ester Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(=O)OC(C)(C)C)C(=O)NC(C1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CCCCCCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C26H42N2O4/c1-6-7-8-9-10-11-13-18-21(19-22(29)32-26(2,3)4)24(30)28-23(25(31)27-5)20-16-14-12-15-17-20/h12,14-17,21,23H,6-11,13,18-19H2,1-5H3,(H,27,31)(H,28,30)/t21-,23+/m1/s1