methyl (2S)-3-(1H-indol-3-yl)-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[6-oxidanylidene-1-(phenylmethyl)pyridazin-3-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(1-benzyl-6-oxo-pyridazine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[6-oxo-1-(phenylmethyl)-3-pyridazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(1-benzyl-6-keto-pyridazine-3-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O4/c1-32-24(31)21(13-17-14-25-19-10-6-5-9-18(17)19)26-23(30)20-11-12-22(29)28(27-20)15-16-7-3-2-4-8-16/h2-12,14,21,25H,13,15H2,1H3,(H,26,30)/t21-/m0/s1