(3S)-2-[(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)butanoyl]-4,5-dihydro-3H-pyridazine-3-carboxylic acid

Systemtic Name: (3S)-2-[(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)butanoyl]-4,5-dihydro-3H-pyridazine-3-carboxylic acid Openeye Name: (3S)-2-[(2S,3S)-3-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)butanoyl]-4,5-dihydro-3H-pyridazine-3-carboxylic acid CAS Name: (3S)-2-[(2S,3S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-(phenylmethoxycarbonylamino)butyl]-4,5-dihydro-3H-pyridazine-3-carboxylic acid IUPAC Name: (3S)-2-[(2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)butanoyl]-4,5-dihydro-3H-pyridazine-3-carboxylic acid Traditional Name: (3S)-2-[(2S,3S)-3-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)butanoyl]-4,5-dihydro-3H-pyridazine-3-carboxylic acid Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1C(CCC=N1)C(=O)O)NC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](C(=O)N1[C@@H](CCC=N1)C(=O)O)NC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H30N4O7/c1-14(24-20(30)32-13-15-9-6-5-7-10-15)17(25-21(31)33-22(2,3)4)18(27)26-16(19(28)29)11-8-12-23-26/h5-7,9-10,12,14,16-17H,8,11,13H2,1-4H3,(H,24,30)(H,25,31)(H,28,29)/t14-,16-,17-/m0/s1