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

Systemtic Name: methyl 2-acetamido-6-[3-aminocarbonyl-5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-pyrrol-1-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[3-carbamoyl-5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-pyrrol-1-yl]hexanoate CAS Name: 2-acetamido-6-[3-carbamoyl-5-[2-(cyanomethyl)-4-thiazolyl]-2-methyl-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[3-carbamoyl-5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methylpyrrol-1-yl]hexanoate Traditional Name: 2-acetamido-6-[3-carbamoyl-5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-pyrrol-1-yl]hexanoic acid methyl ester Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)CC#N)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)CC#N)C(=O)N

InChI

InChI=1S/C20H25N5O4S/c1-12-14(19(22)27)10-17(16-11-30-18(24-16)7-8-21)25(12)9-5-4-6-15(20(28)29-3)23-13(2)26/h10-11,15H,4-7,9H2,1-3H3,(H2,22,27)(H,23,26)