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

Systemtic Name: 2-[(1-butoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-3-(2-phenyl-1,3-thiazol-4-yl)propanoic acid Openeye Name: 2-[(1-butoxycarbonyl-3-methyl-butyl)amino]-3-(2-phenylthiazol-4-yl)propanoic acid CAS Name: 2-[(1-butoxy-4-methyl-1-oxopentan-2-yl)amino]-3-(2-phenyl-4-thiazolyl)propanoic acid IUPAC Name: 2-[(1-butoxy-4-methyl-1-oxopentan-2-yl)amino]-3-(2-phenyl-1,3-thiazol-4-yl)propanoic acid Traditional Name: 2-[(1-butoxycarbonyl-3-methyl-butyl)amino]-3-(2-phenylthiazol-4-yl)propionic acid Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-4-5-11-28-22(27)19(12-15(2)3)24-18(21(25)26)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)