3-cyano-3-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-cyano-3-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-3-cyano-pyrrolidine-1-carboxylic acid CAS Name: 3-cyano-3-[[4-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methoxy]pentyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]amino]-3-cyanopyrrolidine-1-carboxylic acid Traditional Name: 3-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-3-cyano-pyrrolidine-1-carboxylic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5/c1-14(2)10-16(29-18(26)22-11-15-6-4-3-5-7-15)17(25)23-20(12-21)8-9-24(13-20)19(27)28/h3-7,14,16H,8-11,13H2,1-2H3,(H,22,26)(H,23,25)(H,27,28)