2-[[1-butoxy-1-oxidanylidene-3-(2-phenyl-1,3-thiazol-4-yl)propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[1-butoxy-1-oxidanylidene-3-(2-phenyl-1,3-thiazol-4-yl)propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-butoxy-2-oxo-1-[(2-phenylthiazol-4-yl)methyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[1-butoxy-1-oxo-3-(2-phenyl-4-thiazolyl)propan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-butoxy-1-oxo-3-(2-phenyl-1,3-thiazol-4-yl)propan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-butoxy-2-keto-1-[(2-phenylthiazol-4-yl)methyl]ethyl]amino]-4-methyl-valeric acid Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-4-5-11-28-22(27)19(24-18(21(25)26)12-15(2)3)13-17-14-29-20(23-17)16-9-7-6-8-10-16/h6-10,14-15,18-19,24H,4-5,11-13H2,1-3H3,(H,25,26)