4-azanyl-5-[[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C20H25N5O6/c21-14(6-7-17(26)27)18(28)24-15(9-13-10-22-11-23-13)19(29)25-16(20(30)31)8-12-4-2-1-3-5-12/h1-5,10-11,14-16H,6-9,21H2,(H,22,23)(H,24,28)(H,25,29)(H,26,27)(H,30,31)