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

Systemtic Name: methyl 2-acetamido-6-[3-aminocarbonyl-2-methyl-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)pyrrol-1-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(3-pyridyl)thiazol-4-yl]pyrrol-1-yl]hexanoate CAS Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(3-pyridinyl)-4-thiazolyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)pyrrol-1-yl]hexanoate Traditional Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(3-pyridyl)thiazol-4-yl]pyrrol-1-yl]hexanoic acid methyl ester Formula: C23H27N5O4S MolecularWeight: 469.55658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)C3=CN=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)C3=CN=CC=C3)C(=O)N

InChI

InChI=1S/C23H27N5O4S/c1-14-17(21(24)30)11-20(19-13-33-22(27-19)16-7-6-9-25-12-16)28(14)10-5-4-8-18(23(31)32-3)26-15(2)29/h6-7,9,11-13,18H,4-5,8,10H2,1-3H3,(H2,24,30)(H,26,29)