methyl (2R)-2-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)CCSC

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)CCSC

InChI

InChI=1S/C19H25N3O3S2/c1-13-15(9-10-26-3)22-19(20-13)27-12-17(23)21-16(18(24)25-2)11-14-7-5-4-6-8-14/h4-8,16H,9-12H2,1-3H3,(H,20,22)(H,21,23)/t16-/m1/s1