1-cyano-5-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]pentan-2-yl]oxy-indolizine-3-carboxylic acid

Systemtic Name: 1-cyano-5-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)amino]pentan-2-yl]oxy-indolizine-3-carboxylic acid Openeye Name: 1-cyano-5-[(1S)-1-[(3-hydroxy-3-oxo-1-phenyl-propyl)carbamoyl]-3-methyl-butoxy]indolizine-3-carboxylic acid CAS Name: 1-cyano-5-[(2S)-1-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]oxy-3-indolizinecarboxylic acid IUPAC Name: 1-cyano-5-[(2S)-1-[(3-hydroxy-3-oxo-1-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]oxyindolizine-3-carboxylic acid Traditional Name: 1-cyano-5-[(1S)-1-[(3-hydroxy-3-keto-1-phenyl-propyl)carbamoyl]-3-methyl-butoxy]indolizine-3-carboxylic acid Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C1=CC=CC=C1)OC2=CC=CC3=C(C=C(N32)C(=O)O)C#N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC(=O)O)C1=CC=CC=C1)OC2=CC=CC3=C(C=C(N32)C(=O)O)C#N

InChI

InChI=1S/C25H25N3O6/c1-15(2)11-21(24(31)27-18(13-23(29)30)16-7-4-3-5-8-16)34-22-10-6-9-19-17(14-26)12-20(25(32)33)28(19)22/h3-10,12,15,18,21H,11,13H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)/t18?,21-/m0/s1