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

Systemtic Name: 4-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-5-keto-4-(tyrosylamino)valeric acid Formula: C20H25N5O7 MolecularWeight: 447.4418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O)N)O

InChI

InChI=1S/C20H25N5O7/c21-14(7-11-1-3-13(26)4-2-11)18(29)24-15(5-6-17(27)28)19(30)25-16(20(31)32)8-12-9-22-10-23-12/h1-4,9-10,14-16,26H,5-8,21H2,(H,22,23)(H,24,29)(H,25,30)(H,27,28)(H,31,32)