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

Systemtic Name: (2S)-2-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[[cyclohexyl(isopropyl)carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[[cyclohexyl(propan-2-yl)amino]-oxomethyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[cyclohexyl(propan-2-yl)carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[[cyclohexyl(isopropyl)carbamoyl]amino]-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CCCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=C(C=NN(C3=O)C)OC)C(=O)O

Isomeric SMILES

CC(C)N(C1CCCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=C(C=NN(C3=O)C)OC)C(=O)O

InChI

InChI=1S/C25H34N4O5/c1-16(2)29(19-8-6-5-7-9-19)25(33)27-20(24(31)32)14-17-10-12-18(13-11-17)22-21(34-4)15-26-28(3)23(22)30/h10-13,15-16,19-20H,5-9,14H2,1-4H3,(H,27,33)(H,31,32)/t20-/m0/s1