(2S)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C(CCSC)NC(=O)COC1=CC=CC=C1)[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC(=O)[C@H](CCSC)NC(=O)COC1=CC=CC=C1)[NH+]2CCOCC2

InChI

InChI=1S/C21H33N3O4S/c1-21(2,24-10-12-27-13-11-24)16-22-20(26)18(9-14-29-3)23-19(25)15-28-17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3,(H,22,26)(H,23,25)/p+1/t18-/m0/s1