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

Systemtic Name: methyl (2R)-2-[2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[(4-isobutyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(4-isobutyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-13(2)10-16-14(3)21-20(23-16)27-12-18(24)22-17(19(25)26-4)11-15-8-6-5-7-9-15/h5-9,13,17H,10-12H2,1-4H3,(H,21,23)(H,22,24)/t17-/m1/s1