2-[[3-[1-[(4-ethylphenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[1-[(4-ethylphenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[1-[(4-ethylphenyl)methyl]imidazol-4-yl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[1-[(4-ethylphenyl)methyl]-4-imidazolyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[1-[(4-ethylphenyl)methyl]imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[[1-(4-ethylbenzyl)imidazol-4-yl]methyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C=C(N=C2)CC(C(=O)O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C=C(N=C2)CC(C(=O)O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C21H29N3O4/c1-4-15-5-7-16(8-6-15)11-24-12-17(22-13-24)10-19(21(27)28)23-18(20(25)26)9-14(2)3/h5-8,12-14,18-19,23H,4,9-11H2,1-3H3,(H,25,26)(H,27,28)