methyl 3-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[2-(2-methylpropanoylamino)thiazol-4-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[2-(isobutyrylamino)thiazol-4-yl]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-12(2)18(25)22-19-20-14(11-27-19)9-16(23)21-15(10-17(24)26-3)13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,21,23)(H,20,22,25)