2-[[3-methyl-2-(2-methylpropyl)-4-oxidanylidene-3-sulfanyl-pentanoyl]amino]-3-phenylmethoxy-butanoic acid

Systemtic Name: 2-[[3-methyl-2-(2-methylpropyl)-4-oxidanylidene-3-sulfanyl-pentanoyl]amino]-3-phenylmethoxy-butanoic acid Openeye Name: 3-benzyloxy-2-[(2-isobutyl-3-methyl-4-oxo-3-sulfanyl-pentanoyl)amino]butanoic acid CAS Name: 2-[[3-mercapto-3-methyl-2-(2-methylpropyl)-1,4-dioxopentyl]amino]-3-phenylmethoxybutanoic acid IUPAC Name: 2-[[3-methyl-2-(2-methylpropyl)-4-oxo-3-sulfanylpentanoyl]amino]-3-phenylmethoxybutanoic acid Traditional Name: 3-benzoxy-2-[(2-isobutyl-4-keto-3-mercapto-3-methyl-pentanoyl)amino]butyric acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)O)C(C)(C(=O)C)S

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)O)C(C)(C(=O)C)S

InChI

InChI=1S/C21H31NO5S/c1-13(2)11-17(21(5,28)15(4)23)19(24)22-18(20(25)26)14(3)27-12-16-9-7-6-8-10-16/h6-10,13-14,17-18,28H,11-12H2,1-5H3,(H,22,24)(H,25,26)