3-methyl-2-[2-[2-(2-thiophen-2-ylethanoylamino)-1,3-thiazol-4-yl]ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-[2-(2-thiophen-2-ylethanoylamino)-1,3-thiazol-4-yl]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[2-[[2-(2-thienyl)acetyl]amino]thiazol-4-yl]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[2-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-thiazolyl]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[2-[[2-(2-thienyl)acetyl]amino]thiazol-4-yl]acetyl]amino]butyric acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)CC2=CC=CS2

InChI

InChI=1S/C16H19N3O4S2/c1-9(2)14(15(22)23)18-12(20)6-10-8-25-16(17-10)19-13(21)7-11-4-3-5-24-11/h3-5,8-9,14H,6-7H2,1-2H3,(H,18,20)(H,22,23)(H,17,19,21)