[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(C)C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC(C)C)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C21H31N3O7S/c1-14(2)19(21(27)31-13-18(25)22-15(3)4)23-20(26)16-6-5-7-17(12-16)32(28,29)24-8-10-30-11-9-24/h5-7,12,14-15,19H,8-11,13H2,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1