4-cyano-1-methyl-4-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-cyano-1-methyl-4-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]pyrrolidine-2-carboxylic acid Openeye Name: 4-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-4-cyano-1-methyl-pyrrolidine-2-carboxylic acid CAS Name: 4-cyano-1-methyl-4-[[4-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methoxy]pentyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]amino]-4-cyano-1-methylpyrrolidine-2-carboxylic acid Traditional Name: 4-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-4-cyano-1-methyl-proline Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CC(N(C1)C)C(=O)O)C#N)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1(CC(N(C1)C)C(=O)O)C#N)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N4O5/c1-14(2)9-17(30-20(29)23-11-15-7-5-4-6-8-15)18(26)24-21(12-22)10-16(19(27)28)25(3)13-21/h4-8,14,16-17H,9-11,13H2,1-3H3,(H,23,29)(H,24,26)(H,27,28)