4-methyl-2-[[2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide

Systemtic Name: 4-methyl-2-[[2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]pentanamide Openeye Name: 2-[[2-benzyl-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]propanoyl]amino]-4-methyl-pentanamide CAS Name: 4-methyl-2-[[2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]pentanamide IUPAC Name: 2-[[2-benzyl-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]propanoyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-benzyl-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]propanoyl]amino]-4-methyl-valeramide Formula: C22H36N4O4S MolecularWeight: 452.61064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCCN(CC2)C

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCCN(CC2)C

InChI

InChI=1S/C22H36N4O4S/c1-17(2)14-20(21(23)27)24-22(28)19(15-18-8-5-4-6-9-18)16-31(29,30)26-11-7-10-25(3)12-13-26/h4-6,8-9,17,19-20H,7,10-16H2,1-3H3,(H2,23,27)(H,24,28)