[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC1=CC=CS1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CC=CS1)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O5S/c1-14(2)19(23-20(25)15-6-8-16(27-3)9-7-15)21(26)28-13-18(24)22-11-10-17-5-4-12-29-17/h4-9,12,14,19H,10-11,13H2,1-3H3,(H,22,24)(H,23,25)/t19-/m0/s1