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

Systemtic Name: 3-cyano-3-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]azepane-1-carboxylic acid Openeye Name: 3-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-3-cyano-azepane-1-carboxylic acid CAS Name: 3-cyano-3-[[4-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methoxy]pentyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]amino]-3-cyanoazepane-1-carboxylic acid Traditional Name: 3-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-3-cyano-azepane-1-carboxylic acid Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O5/c1-16(2)12-18(31-20(28)24-13-17-8-4-3-5-9-17)19(27)25-22(14-23)10-6-7-11-26(15-22)21(29)30/h3-5,8-9,16,18H,6-7,10-13,15H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)