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

Systemtic Name: methyl 2-acetamido-6-[3-aminocarbonyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrol-1-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrol-1-yl]hexanoate CAS Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(2-pyrazinyl)-4-thiazolyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrol-1-yl]hexanoate Traditional Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrol-1-yl]hexanoic acid methyl ester Formula: C22H26N6O4S MolecularWeight: 470.54464

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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=NC=CN=C3)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O4S/c1-13-15(20(23)30)10-19(18-12-33-21(27-18)17-11-24-7-8-25-17)28(13)9-5-4-6-16(22(31)32-3)26-14(2)29/h7-8,10-12,16H,4-6,9H2,1-3H3,(H2,23,30)(H,26,29)