3-azanyl-N-[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]-5-methylsulfanyl-2-oxidanyl-pentanamide

Systemtic Name: 3-azanyl-N-[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]-5-methylsulfanyl-2-oxidanyl-pentanamide Openeye Name: 3-amino-N-[2-[[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]-2-hydroxy-5-methylsulfanyl-pentanamide CAS Name: 3-amino-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxy-5-(methylthio)pentanamide IUPAC Name: 3-amino-N-[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-2-hydroxy-5-methylsulfanylpentanamide Traditional Name: 3-amino-N-[2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]-2-hydroxy-5-(methylthio)valeramide Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)NC(=O)CNC(=O)C(C(CCSC)N)O

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)NC(=O)CNC(=O)C(C(CCSC)N)O

InChI

InChI=1S/C18H28N4O4S/c1-22(2)18(26)15(12-7-5-4-6-8-12)21-14(23)11-20-17(25)16(24)13(19)9-10-27-3/h4-8,13,15-16,24H,9-11,19H2,1-3H3,(H,20,25)(H,21,23)