tert-butyl 4-[[6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate

Systemtic Name: tert-butyl 4-[[6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate Openeye Name: tert-butyl 4-[[6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate CAS Name: 4-[[6-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-2-(3-hydroxyphenyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-2-(3-hydroxyphenyl)benzoate Traditional Name: 4-[[6-amino-2-(tert-butoxycarbonylamino)hexanoyl]amino]-2-(3-hydroxyphenyl)benzoic acid tert-butyl ester Formula: C28H39N3O6 MolecularWeight: 513.62576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCN)NC(=O)OC(C)(C)C)C2=CC(=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)NC(=O)C(CCCCN)NC(=O)OC(C)(C)C)C2=CC(=CC=C2)O

InChI

InChI=1S/C28H39N3O6/c1-27(2,3)36-25(34)21-14-13-19(17-22(21)18-10-9-11-20(32)16-18)30-24(33)23(12-7-8-15-29)31-26(35)37-28(4,5)6/h9-11,13-14,16-17,23,32H,7-8,12,15,29H2,1-6H3,(H,30,33)(H,31,35)