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

Systemtic Name: 3-azanyl-4-[[3-(4-hydroxyphenyl)-1-[[1-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[3-hydroxy-1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[3-hydroxy-1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-(4-hydroxybenzyl)-2-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]propyl]amino]-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C23H30N6O9 MolecularWeight: 534.5191

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)O)N)O

InChI

InChI=1S/C23H30N6O9/c1-11(30)19(22(36)28-17(23(37)38)7-13-9-25-10-26-13)29-21(35)16(6-12-2-4-14(31)5-3-12)27-20(34)15(24)8-18(32)33/h2-5,9-11,15-17,19,30-31H,6-8,24H2,1H3,(H,25,26)(H,27,34)(H,28,36)(H,29,35)(H,32,33)(H,37,38)