(phenylmethyl) 2-[[2-[[3-(1H-imidazol-5-yl)-1-[(4-methyl-1-oxidanyl-pentan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: (phenylmethyl) 2-[[2-[[3-(1H-imidazol-5-yl)-1-[(4-methyl-1-oxidanyl-pentan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: benzyl 2-[[2-[[2-[[1-(hydroxymethyl)-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]benzoate CAS Name: 2-[[2-[[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]benzoate Traditional Name: 2-[[2-[[1-(1H-imidazol-5-ylmethyl)-2-keto-2-[(3-methyl-1-methylol-butyl)amino]ethyl]amino]-2-keto-ethyl]amino]benzoic acid benzyl ester Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=O)C(CC1=CN=CN1)NC(=O)CNC2=CC=CC=C2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CO)NC(=O)C(CC1=CN=CN1)NC(=O)CNC2=CC=CC=C2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H35N5O5/c1-19(2)12-22(16-34)32-27(36)25(13-21-14-29-18-31-21)33-26(35)15-30-24-11-7-6-10-23(24)28(37)38-17-20-8-4-3-5-9-20/h3-11,14,18-19,22,25,30,34H,12-13,15-17H2,1-2H3,(H,29,31)(H,32,36)(H,33,35)