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

Systemtic Name: methyl 2-acetamido-6-[3-aminocarbonyl-2-methyl-5-[2-(phenylsulfanylmethyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Openeye Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(phenylsulfanylmethyl)thiazol-4-yl]pyrrol-1-yl]hexanoate CAS Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-[(phenylthio)methyl]-4-thiazolyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-(phenylsulfanylmethyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Traditional Name: 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-[(phenylthio)methyl]thiazol-4-yl]pyrrol-1-yl]hexanoic acid methyl ester Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)CSC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCCCC(C(=O)OC)NC(=O)C)C2=CSC(=N2)CSC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C25H30N4O4S2/c1-16-19(24(26)31)13-22(21-14-35-23(28-21)15-34-18-9-5-4-6-10-18)29(16)12-8-7-11-20(25(32)33-3)27-17(2)30/h4-6,9-10,13-14,20H,7-8,11-12,15H2,1-3H3,(H2,26,31)(H,27,30)