[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-3-methylbutanoic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-ureido-butyric acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C18H26N4O7S MolecularWeight: 442.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)N

InChI

InChI=1S/C18H26N4O7S/c1-12(2)16(21-18(19)25)17(24)29-11-15(23)20-13-3-5-14(6-4-13)30(26,27)22-7-9-28-10-8-22/h3-6,12,16H,7-11H2,1-2H3,(H,20,23)(H3,19,21,25)/t16-/m0/s1