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

Systemtic Name: (2S)-2-[[2-dimethylaminoethyl(ethyl)carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[[2-dimethylaminoethyl(ethyl)carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[[2-dimethylaminoethyl(ethyl)amino]-oxomethyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[2-dimethylaminoethyl(ethyl)carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[[2-dimethylaminoethyl(ethyl)carbamoyl]amino]-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN(C)C)C(=O)NC(CC1=CC=C(C=C1)C2=C(C=NN(C2=O)C)OC)C(=O)O

Isomeric SMILES

CCN(CCN(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)C2=C(C=NN(C2=O)C)OC)C(=O)O

InChI

InChI=1S/C22H31N5O5/c1-6-27(12-11-25(2)3)22(31)24-17(21(29)30)13-15-7-9-16(10-8-15)19-18(32-5)14-23-26(4)20(19)28/h7-10,14,17H,6,11-13H2,1-5H3,(H,24,31)(H,29,30)/t17-/m0/s1