2-methyl-N'-[1-[(4-methylsulfanyl-1-oxidanyl-butan-2-yl)amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanediamide

Systemtic Name: 2-methyl-N'-[1-[(4-methylsulfanyl-1-oxidanyl-butan-2-yl)amino]-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanediamide Openeye Name: N'-[1-[(4-benzyloxyphenyl)methyl]-2-[[1-(hydroxymethyl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]-2-methyl-pentanediamide CAS Name: N'-[1-[[1-hydroxy-4-(methylthio)butan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide IUPAC Name: N'-[1-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-methylpentanediamide Traditional Name: N'-[1-(4-benzoxybenzyl)-2-keto-2-[[1-methylol-3-(methylthio)propyl]amino]ethyl]-2-methyl-glutaramide Formula: C27H37N3O5S MolecularWeight: 515.66478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCSC)CO)C(=O)N

Isomeric SMILES

CC(CCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCSC)CO)C(=O)N

InChI

InChI=1S/C27H37N3O5S/c1-19(26(28)33)8-13-25(32)30-24(27(34)29-22(17-31)14-15-36-2)16-20-9-11-23(12-10-20)35-18-21-6-4-3-5-7-21/h3-7,9-12,19,22,24,31H,8,13-18H2,1-2H3,(H2,28,33)(H,29,34)(H,30,32)