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

Systemtic Name: 4-cyano-4-[[4-methyl-2-[(phenylmethyl)carbamoyloxy]pentanoyl]amino]azepane-1-carboxylic acid Openeye Name: 4-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-4-cyano-azepane-1-carboxylic acid CAS Name: 4-cyano-4-[[4-methyl-1-oxo-2-[oxo-[(phenylmethyl)amino]methoxy]pentyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]amino]-4-cyanoazepane-1-carboxylic acid Traditional Name: 4-[[2-(benzylcarbamoyloxy)-4-methyl-pentanoyl]amino]-4-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(CCCN(CC1)C(=O)O)C#N)OC(=O)NCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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