2-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[2-[(3,3-dimethyl-1-oxobutyl)amino]-4-thiazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-(3,3-dimethylbutanoylamino)thiazol-4-yl]acetyl]amino]-3-phenyl-propionic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=NC(=CS1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC1=NC(=CS1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H25N3O4S/c1-20(2,3)11-17(25)23-19-21-14(12-28-19)10-16(24)22-15(18(26)27)9-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3,(H,22,24)(H,26,27)(H,21,23,25)