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

Systemtic Name: 4-methyl-2-[2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]ethanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-[2-(2-phenoxypropanoylamino)thiazol-4-yl]acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[2-[(1-oxo-2-phenoxypropyl)amino]-4-thiazolyl]ethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-[2-(2-phenoxypropanoylamino)thiazol-4-yl]acetyl]amino]valeric acid Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-12(2)9-16(19(26)27)22-17(24)10-14-11-29-20(21-14)23-18(25)13(3)28-15-7-5-4-6-8-15/h4-8,11-13,16H,9-10H2,1-3H3,(H,22,24)(H,26,27)(H,21,23,25)