2-[[3-methyl-2-[(phenylmethyl)sulfonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-methyl-2-[(phenylmethyl)sulfonylamino]pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(benzylsulfonylamino)-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-methyl-1-oxo-2-[(phenylmethyl)sulfonylamino]pentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(benzylsulfonylamino)-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(benzylsulfonylamino)-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)C(=O)O)NS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C18H28N2O5S2/c1-4-13(2)16(17(21)19-15(18(22)23)10-11-26-3)20-27(24,25)12-14-8-6-5-7-9-14/h5-9,13,15-16,20H,4,10-12H2,1-3H3,(H,19,21)(H,22,23)