methyl 5-[2-methylpropyl-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[2-methylpropyl-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[isobutyl-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]amino]-5-oxo-pentanoate CAS Name: 5-[2-methylpropyl-[2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[2-methylpropyl-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]amino]-5-oxopentanoate Traditional Name: 5-[isobutyl-[2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl]amino]-5-keto-valeric acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)NC1=NC(=CS1)C2=CC=CC=C2)C(=O)CCCC(=O)OC

Isomeric SMILES

CC(C)CN(CC(=O)NC1=NC(=CS1)C2=CC=CC=C2)C(=O)CCCC(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-15(2)12-24(19(26)10-7-11-20(27)28-3)13-18(25)23-21-22-17(14-29-21)16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,22,23,25)