2-[[2-[(2-ethanoyl-4-oxidanylidene-2-sulfanyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(2-ethanoyl-4-oxidanylidene-2-sulfanyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(2-acetyl-4-oxo-2-sulfanyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-acetyl-2-mercapto-1,4-dioxopentyl)amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-acetyl-4-oxo-2-sulfanylpentanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-acetyl-4-keto-2-mercapto-pentanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6S/c1-13(2)10-17(24-21(30)22(31,15(4)26)12-14(3)25)19(27)23-18(20(28)29)11-16-8-6-5-7-9-16/h5-9,13,17-18,31H,10-12H2,1-4H3,(H,23,27)(H,24,30)(H,28,29)