[1-[[1-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium chloride

Systemtic Name: [1-[[1-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium chloride Openeye Name: [1-[[1-[(1-benzyl-2-methoxy-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]carbamoyl]-3-methylsulfanyl-propyl]ammonium chloride CAS Name: [1-[[1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]ammonium chloride IUPAC Name: [1-[[1-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]azanium chloride Traditional Name: [1-[[1-[(1-benzyl-2-keto-2-methoxy-ethyl)carbamoyl]-3-methyl-butyl]carbamoyl]-3-(methylthio)propyl]ammonium chloride Formula: C21H34ClN3O4S MolecularWeight: 460.03036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)[NH3+].[Cl-]

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)[NH3+].[Cl-]

InChI

InChI=1S/C21H33N3O4S.ClH/c1-14(2)12-17(23-19(25)16(22)10-11-29-4)20(26)24-18(21(27)28-3)13-15-8-6-5-7-9-15;/h5-9,14,16-18H,10-13,22H2,1-4H3,(H,23,25)(H,24,26);1H