(2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)carbonylamino]propanoic acid Openeye Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]-2-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)amino]propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-[[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]-2-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine-5-carbonyl)amino]propionic acid Formula: C27H30N4O7 MolecularWeight: 522.5497

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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)N3CCCOC4=C(C3)C=CC=C4OC

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)N3CCCOC4=C(C3)C=CC=C4OC

InChI

InChI=1S/C27H30N4O7/c1-30-25(32)23(22(37-3)15-28-30)18-10-8-17(9-11-18)14-20(26(33)34)29-27(35)31-12-5-13-38-24-19(16-31)6-4-7-21(24)36-2/h4,6-11,15,20H,5,12-14,16H2,1-3H3,(H,29,35)(H,33,34)/t20-/m0/s1