3-methyl-1-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butane-1-sulfonic acid

Systemtic Name: 3-methyl-1-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butane-1-sulfonic acid Openeye Name: 1-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-methyl-butane-1-sulfonic acid CAS Name: 1-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-methyl-1-butanesulfonic acid IUPAC Name: 1-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-methylbutane-1-sulfonic acid Traditional Name: 1-[(2-benzyl-3-mercapto-propanoyl)amino]-3-methyl-butane-1-sulfonic acid Formula: C15H23NO4S2 MolecularWeight: 345.47742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4S2/c1-11(2)8-14(22(18,19)20)16-15(17)13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,16,17)(H,18,19,20)