2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(tert-butylsulfonylmethyl)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(2-benzyl-3-tert-butylsulfonylpropanoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(2-benzyl-3-tert-butylsulfonyl-propanoyl)amino]-4-methyl-valeric acid Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C20H31NO5S/c1-14(2)11-17(19(23)24)21-18(22)16(12-15-9-7-6-8-10-15)13-27(25,26)20(3,4)5/h6-10,14,16-17H,11-13H2,1-5H3,(H,21,22)(H,23,24)