3-cyano-3-[[4,4-dimethyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]pentanoyl]amino]azepane-1-carboxylic acid

Systemtic Name: 3-cyano-3-[[4,4-dimethyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]pentanoyl]amino]azepane-1-carboxylic acid Openeye Name: 3-cyano-3-[[4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanoyl]amino]azepane-1-carboxylic acid CAS Name: 3-cyano-3-[[4,4-dimethyl-1-oxo-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-cyano-3-[[4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanoyl]amino]azepane-1-carboxylic acid Traditional Name: 3-cyano-3-[[2-[(2-keto-1,3-benzoxazin-4-yl)amino]-4,4-dimethyl-pentanoyl]amino]azepane-1-carboxylic acid Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NC1(CCCCN(C1)C(=O)O)C#N)NC2=NC(=O)OC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)CC(C(=O)NC1(CCCCN(C1)C(=O)O)C#N)NC2=NC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C23H29N5O5/c1-22(2,3)12-16(25-18-15-8-4-5-9-17(15)33-20(30)26-18)19(29)27-23(13-24)10-6-7-11-28(14-23)21(31)32/h4-5,8-9,16H,6-7,10-12,14H2,1-3H3,(H,27,29)(H,31,32)(H,25,26,30)