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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCN(CC1)C(=O)O)C#N)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCN(CC1)C(=O)O)C#N)OC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N4O5/c1-15(2)12-17(30-19(27)23-13-16-6-4-3-5-7-16)18(26)24-21(14-22)8-10-25(11-9-21)20(28)29/h3-7,15,17H,8-13H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)