2-[[3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)carbonylamino]propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-2-[(4-methylphenyl)carbonylamino]propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(1H-imidazol-5-yl)-2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(1H-imidazol-5-yl)-2-(p-toluoylamino)propanoyl]amino]-4-methyl-valeric acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C20H26N4O4/c1-12(2)8-17(20(27)28)24-19(26)16(9-15-10-21-11-22-15)23-18(25)14-6-4-13(3)5-7-14/h4-7,10-12,16-17H,8-9H2,1-3H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)