[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)N(C)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H27N3O5/c1-14(2)19(23-20(26)17-6-5-11-28-17)21(27)29-13-18(25)22-12-15-7-9-16(10-8-15)24(3)4/h5-11,14,19H,12-13H2,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1