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

Systemtic Name: 3-methyl-2-[2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]ethanoylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-[2-(2-phenoxypropanoylamino)thiazol-4-yl]acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[2-[(1-oxo-2-phenoxypropyl)amino]-4-thiazolyl]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-[2-(2-phenoxypropanoylamino)thiazol-4-yl]acetyl]amino]butyric acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)C(C)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)NC(=O)C(C)OC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O5S/c1-11(2)16(18(25)26)21-15(23)9-13-10-28-19(20-13)22-17(24)12(3)27-14-7-5-4-6-8-14/h4-8,10-12,16H,9H2,1-3H3,(H,21,23)(H,25,26)(H,20,22,24)