3-[[(2S)-2-(1-cyano-3-ethoxycarbonyl-indolizin-5-yl)oxy-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[(2S)-2-(1-cyano-3-ethoxycarbonyl-indolizin-5-yl)oxy-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[(2S)-2-(1-cyano-3-ethoxycarbonyl-indolizin-5-yl)oxy-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[(2S)-2-[(1-cyano-3-ethoxycarbonyl-5-indolizinyl)oxy]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[(2S)-2-(1-cyano-3-ethoxycarbonylindolizin-5-yl)oxy-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[(2S)-2-(3-carbethoxy-1-cyano-indolizin-5-yl)oxy-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2N1C(=CC=C2)OC(CC(C)C)C(=O)NC(CC(=O)O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=C2N1C(=CC=C2)O[C@@H](CC(C)C)C(=O)NC(CC(=O)O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H29N3O6/c1-4-35-27(34)22-14-19(16-28)21-11-8-12-24(30(21)22)36-23(13-17(2)3)26(33)29-20(15-25(31)32)18-9-6-5-7-10-18/h5-12,14,17,20,23H,4,13,15H2,1-3H3,(H,29,33)(H,31,32)/t20?,23-/m0/s1