2-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-1-ethyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: 2-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-1-ethyl-1,2-diazinane-3-carboxylic acid Openeye Name: 2-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-1-ethyl-hexahydropyridazine-3-carboxylic acid CAS Name: 2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-1-ethyl-3-diazinanecarboxylic acid IUPAC Name: 2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-ethyldiazinane-3-carboxylic acid Traditional Name: 2-[(2S)-2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-1-ethyl-hexahydropyridazine-3-carboxylic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(N1C(=O)C(C)NC(CCC2=CC=CC=C2)C(=O)OCC)C(=O)O

Isomeric SMILES

CCN1CCCC(N1C(=O)[C@H](C)N[C@@H](CCC2=CC=CC=C2)C(=O)OCC)C(=O)O

InChI

InChI=1S/C22H33N3O5/c1-4-24-15-9-12-19(21(27)28)25(24)20(26)16(3)23-18(22(29)30-5-2)14-13-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,23H,4-5,9,12-15H2,1-3H3,(H,27,28)/t16-,18-,19?/m0/s1