3-[(4-hydroxyphenyl)carbonylamino]-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-[4-(tert-butoxycarbonylamino)benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxyazepane-1-carboxylic acid Traditional Name: 4-[4-(tert-butoxycarbonylamino)benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C26H31N3O8 MolecularWeight: 513.53964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OC2CCCN(CC2NC(=O)C3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OC2CCCN(CC2NC(=O)C3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C26H31N3O8/c1-26(2,3)37-24(33)27-18-10-6-17(7-11-18)23(32)36-21-5-4-14-29(25(34)35)15-20(21)28-22(31)16-8-12-19(30)13-9-16/h6-13,20-21,30H,4-5,14-15H2,1-3H3,(H,27,33)(H,28,31)(H,34,35)