2-[[3-oxidanyl-5-oxidanylidene-2-[[2-(2-piperazin-1-ylpyridin-4-yl)phenyl]methyl]-6-propan-2-yl-pyridazin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-oxidanyl-5-oxidanylidene-2-[[2-(2-piperazin-1-ylpyridin-4-yl)phenyl]methyl]-6-propan-2-yl-pyridazin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-hydroxy-6-isopropyl-5-oxo-2-[[2-(2-piperazin-1-yl-4-pyridyl)phenyl]methyl]pyridazine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[3-hydroxy-5-oxo-2-[[2-[2-(1-piperazinyl)-4-pyridinyl]phenyl]methyl]-6-propan-2-yl-4-pyridazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-hydroxy-5-oxo-2-[[2-(2-piperazin-1-ylpyridin-4-yl)phenyl]methyl]-6-propan-2-ylpyridazine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[3-hydroxy-6-isopropyl-5-keto-2-[2-(2-piperazino-4-pyridyl)benzyl]pyridazine-4-carbonyl]amino]acetic acid Formula: C26H30N6O5 MolecularWeight: 506.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C(C1=O)C(=O)NCC(=O)O)O)CC2=CC=CC=C2C3=CC(=NC=C3)N4CCNCC4

Isomeric SMILES

CC(C)C1=NN(C(=C(C1=O)C(=O)NCC(=O)O)O)CC2=CC=CC=C2C3=CC(=NC=C3)N4CCNCC4

InChI

InChI=1S/C26H30N6O5/c1-16(2)23-24(35)22(25(36)29-14-21(33)34)26(37)32(30-23)15-18-5-3-4-6-19(18)17-7-8-28-20(13-17)31-11-9-27-10-12-31/h3-8,13,16,27,37H,9-12,14-15H2,1-2H3,(H,29,36)(H,33,34)