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

Systemtic Name: methyl 2-acetamido-6-[3-aminocarbonyl-2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[3-carbamoyl-5-(2-isoxazol-5-ylthiazol-4-yl)-2-methyl-pyrrol-1-yl]hexanoate CAS Name: 2-acetamido-6-[3-carbamoyl-5-[2-(5-isoxazolyl)-4-thiazolyl]-2-methyl-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Traditional Name: 2-acetamido-6-[3-carbamoyl-5-(2-isoxazol-5-ylthiazol-4-yl)-2-methyl-pyrrol-1-yl]hexanoic acid methyl ester Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)C3=CC=NO3)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)C3=CC=NO3)C(=O)N

InChI

InChI=1S/C21H25N5O5S/c1-12-14(19(22)28)10-17(16-11-32-20(25-16)18-7-8-23-31-18)26(12)9-5-4-6-15(21(29)30-3)24-13(2)27/h7-8,10-11,15H,4-6,9H2,1-3H3,(H2,22,28)(H,24,27)