methyl 2-acetamido-6-[3-aminocarbonyl-2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate

Systemtic Name: methyl 2-acetamido-6-[3-aminocarbonyl-2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(p-tolyl)thiazol-4-yl]pyrrol-1-yl]hexanoate CAS Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(4-methylphenyl)-4-thiazolyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Traditional Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(p-tolyl)thiazol-4-yl]pyrrol-1-yl]hexanoic acid methyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=C(N3CCCCC(C(=O)OC)NC(=O)C)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=C(N3CCCCC(C(=O)OC)NC(=O)C)C)C(=O)N

InChI

InChI=1S/C25H30N4O4S/c1-15-8-10-18(11-9-15)24-28-21(14-34-24)22-13-19(23(26)31)16(2)29(22)12-6-5-7-20(25(32)33-4)27-17(3)30/h8-11,13-14,20H,5-7,12H2,1-4H3,(H2,26,31)(H,27,30)