(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[2-(2-hydroxyethyl)-3-oxidanylidene-5-propan-2-yloxy-pyridazin-4-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[2-(2-hydroxyethyl)-3-oxidanylidene-5-propan-2-yloxy-pyridazin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(2-hydroxyethyl)-5-isopropoxy-3-oxo-pyridazin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-[2-(2-hydroxyethyl)-3-oxo-5-propan-2-yloxy-4-pyridazinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(2-hydroxyethyl)-3-oxo-5-propan-2-yloxypyridazin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(2-hydroxyethyl)-5-isopropoxy-3-keto-pyridazin-4-yl]phenyl]propionic acid Formula: C25H25Cl2N3O6 MolecularWeight: 534.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)N(N=C1)CCO)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(C)OC1=C(C(=O)N(N=C1)CCO)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C25H25Cl2N3O6/c1-14(2)36-20-13-28-30(10-11-31)24(33)21(20)16-8-6-15(7-9-16)12-19(25(34)35)29-23(32)22-17(26)4-3-5-18(22)27/h3-9,13-14,19,31H,10-12H2,1-2H3,(H,29,32)(H,34,35)/t19-/m0/s1