3-(1H-imidazol-5-yl)-2-[[4-oxidanylidene-2-(phenylmethyl)-4-thiophen-2-yl-butanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[4-oxidanylidene-2-(phenylmethyl)-4-thiophen-2-yl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-benzyl-4-oxo-4-(2-thienyl)butanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[1,4-dioxo-2-(phenylmethyl)-4-thiophen-2-ylbutyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(2-benzyl-4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[2-benzyl-4-keto-4-(2-thienyl)butanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)C2=CC=CS2)C(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)C2=CC=CS2)C(=O)NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C21H21N3O4S/c25-18(19-7-4-8-29-19)10-15(9-14-5-2-1-3-6-14)20(26)24-17(21(27)28)11-16-12-22-13-23-16/h1-8,12-13,15,17H,9-11H2,(H,22,23)(H,24,26)(H,27,28)