[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC=C(C=C1)OCC

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)OCC

InChI

InChI=1S/C20H29N3O6/c1-5-11-21-20(27)22-16(24)12-29-19(26)17(13(3)4)23-18(25)14-7-9-15(10-8-14)28-6-2/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,23,25)(H2,21,22,24,27)/t17-/m0/s1