(2S)-2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[1-(2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]-4-methyl-valeric acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2OC)C)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2OC)C)C(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C20H26N2O4/c1-12(2)10-16(20(24)25)21-19(23)15-11-13(3)22(14(15)4)17-8-6-7-9-18(17)26-5/h6-9,11-12,16H,10H2,1-5H3,(H,21,23)(H,24,25)/t16-/m0/s1