(2S)-2-(1-adamantyloxycarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[1-adamantyloxy(oxo)methyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31N3O6/c1-29-23(30)22(21(34-2)14-27-29)19-5-3-15(4-6-19)10-20(24(31)32)28-25(33)35-26-11-16-7-17(12-26)9-18(8-16)13-26/h3-6,14,16-18,20H,7-13H2,1-2H3,(H,28,33)(H,31,32)/t16?,17?,18?,20-,26?/m0/s1