4-methyl-2-[[4-oxidanylidene-2-(phenylmethyl)-4-thiophen-2-yl-butanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-oxidanylidene-2-(phenylmethyl)-4-thiophen-2-yl-butanoyl]amino]pentanoic acid Openeye Name: 2-[[2-benzyl-4-oxo-4-(2-thienyl)butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[1,4-dioxo-2-(phenylmethyl)-4-thiophen-2-ylbutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(2-benzyl-4-oxo-4-thiophen-2-ylbutanoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[[2-benzyl-4-keto-4-(2-thienyl)butanoyl]amino]-4-methyl-valeric acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CC(=O)C2=CC=CS2

InChI

InChI=1S/C21H25NO4S/c1-14(2)11-17(21(25)26)22-20(24)16(12-15-7-4-3-5-8-15)13-18(23)19-9-6-10-27-19/h3-10,14,16-17H,11-13H2,1-2H3,(H,22,24)(H,25,26)