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

Systemtic Name: 2-[[2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide Openeye Name: 2-[[2-benzyl-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]propanoyl]amino]-4-methylsulfanyl-butanamide CAS Name: 2-[[2-[(4-methyl-1,4-diazepan-1-yl)sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanamide IUPAC Name: 2-[[2-benzyl-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]propanoyl]amino]-4-methylsulfanylbutanamide Traditional Name: 2-[[2-benzyl-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]propanoyl]amino]-4-(methylthio)butyramide Formula: C21H34N4O4S2 MolecularWeight: 470.64906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N

InChI

InChI=1S/C21H34N4O4S2/c1-24-10-6-11-25(13-12-24)31(28,29)16-18(15-17-7-4-3-5-8-17)21(27)23-19(20(22)26)9-14-30-2/h3-5,7-8,18-19H,6,9-16H2,1-2H3,(H2,22,26)(H,23,27)