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

Systemtic Name: 2-[[2-[(3,3-dimethyl-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[[2-[(3,3-dimethyl-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[(2-mercapto-3,3-dimethyl-1-oxobutyl)amino]-2-methyl-1-oxopropyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[[2-[(3,3-dimethyl-2-sulfanylbutanoyl)amino]-2-methylpropanoyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[[2-[(2-mercapto-3,3-dimethyl-butanoyl)amino]-2-methyl-propanoyl]amino]propionic acid Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-19(2,3)15(28)16(23)22-20(4,5)18(26)21-14(17(24)25)12-27-11-13-9-7-6-8-10-13/h6-10,14-15,28H,11-12H2,1-5H3,(H,21,26)(H,22,23)(H,24,25)