(2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-[[propan-2-yl-[4-(propan-2-ylamino)phenyl]carbamoyl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-[[propan-2-yl-[4-(propan-2-ylamino)phenyl]carbamoyl]amino]propanoic acid Openeye Name: (2S)-2-[[isopropyl-[4-(isopropylamino)phenyl]carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-[[oxo-[N-propan-2-yl-4-(propan-2-ylamino)anilino]methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-[[propan-2-yl-[4-(propan-2-ylamino)phenyl]carbamoyl]amino]propanoic acid Traditional Name: (2S)-2-[[isopropyl-[4-(isopropylamino)phenyl]carbamoyl]amino]-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=C(C=C1)N(C(C)C)C(=O)NC(CC2=CC=C(C=C2)C3=C(C=NN(C3=O)C)OC)C(=O)O

Isomeric SMILES

CC(C)NC1=CC=C(C=C1)N(C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=C(C=NN(C3=O)C)OC)C(=O)O

InChI

InChI=1S/C28H35N5O5/c1-17(2)30-21-11-13-22(14-12-21)33(18(3)4)28(37)31-23(27(35)36)15-19-7-9-20(10-8-19)25-24(38-6)16-29-32(5)26(25)34/h7-14,16-18,23,30H,15H2,1-6H3,(H,31,37)(H,35,36)/t23-/m0/s1