4-methyl-2-[[2-oxidanyl-3-(3-oxidanylidenebutanethioylamino)-4-phenyl-butanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-oxidanyl-3-(3-oxidanylidenebutanethioylamino)-4-phenyl-butanoyl]amino]pentanoic acid Openeye Name: 2-[[2-hydroxy-3-(3-oxobutanethioylamino)-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-hydroxy-1-oxo-3-[(3-oxo-1-sulfanylidenebutyl)amino]-4-phenylbutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-hydroxy-3-(3-oxobutanethioylamino)-4-phenylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-hydroxy-3-(3-ketobutanethioylamino)-4-phenyl-butanoyl]amino]-4-methyl-valeric acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-12(2)9-16(20(26)27)22-19(25)18(24)15(21-17(28)10-13(3)23)11-14-7-5-4-6-8-14/h4-8,12,15-16,18,24H,9-11H2,1-3H3,(H,21,28)(H,22,25)(H,26,27)