2-[[2-[(3-methoxy-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[[2-[(3-methoxy-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[[2-[(3-methoxy-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[(2-mercapto-3-methoxy-1-oxobutyl)amino]-2-methyl-1-oxopropyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[[2-[(3-methoxy-2-sulfanylbutanoyl)amino]-2-methylpropanoyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[[2-[(2-mercapto-3-methoxy-butanoyl)amino]-2-methyl-propanoyl]amino]propionic acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)O)S)OC

Isomeric SMILES

CC(C(C(=O)NC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)O)S)OC

InChI

InChI=1S/C19H28N2O6S/c1-12(26-4)15(28)16(22)21-19(2,3)18(25)20-14(17(23)24)11-27-10-13-8-6-5-7-9-13/h5-9,12,14-15,28H,10-11H2,1-4H3,(H,20,25)(H,21,22)(H,23,24)