2-[[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-(1H-imidazol-5-ylmethyl)-2-oxo-2-(phenethylamino)ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(1H-imidazol-5-yl)-1-oxo-1-(phenethylamino)propan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(1H-imidazol-5-yl)-1-oxo-1-(phenethylamino)propan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-(1H-imidazol-5-ylmethyl)-2-keto-2-(phenethylamino)ethyl]amino]-4-methyl-valeric acid Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CN=CN1)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CN=CN1)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O3/c1-14(2)10-18(20(26)27)24-17(11-16-12-21-13-23-16)19(25)22-9-8-15-6-4-3-5-7-15/h3-7,12-14,17-18,24H,8-11H2,1-2H3,(H,21,23)(H,22,25)(H,26,27)