[2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-4-mesyl-2-(o-anisoylamino)butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H24N2O7S MolecularWeight: 412.45736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCS(=O)(=O)C)C(=O)OCC(=O)NC2CC2

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@H](CCS(=O)(=O)C)C(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C18H24N2O7S/c1-26-15-6-4-3-5-13(15)17(22)20-14(9-10-28(2,24)25)18(23)27-11-16(21)19-12-7-8-12/h3-6,12,14H,7-11H2,1-2H3,(H,19,21)(H,20,22)/t14-/m1/s1