[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=NOC=C1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=NOC=C1)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21N3O6/c1-11(2)16(20-17(23)12-4-6-13(25-3)7-5-12)18(24)26-10-15(22)19-14-8-9-27-21-14/h4-9,11,16H,10H2,1-3H3,(H,20,23)(H,19,21,22)/t16-/m0/s1