3,6-bis(2-azanylpropan-2-yloxycarbonylamino)-4-[(4-hydroxyphenyl)methyl]octanedioic acid

Systemtic Name: 3,6-bis(2-azanylpropan-2-yloxycarbonylamino)-4-[(4-hydroxyphenyl)methyl]octanedioic acid Openeye Name: 3,6-bis[(1-amino-1-methyl-ethoxy)carbonylamino]-4-[(4-hydroxyphenyl)methyl]octanedioic acid CAS Name: 3,6-bis[[2-aminopropan-2-yloxy(oxo)methyl]amino]-4-[(4-hydroxyphenyl)methyl]octanedioic acid IUPAC Name: 3,6-bis(2-aminopropan-2-yloxycarbonylamino)-4-[(4-hydroxyphenyl)methyl]octanedioic acid Traditional Name: 3,6-bis[(1-amino-1-methyl-ethoxy)carbonylamino]-4-(4-hydroxybenzyl)suberic acid Formula: C23H36N4O9 MolecularWeight: 512.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(N)OC(=O)NC(CC(CC1=CC=C(C=C1)O)C(CC(=O)O)NC(=O)OC(C)(C)N)CC(=O)O

Isomeric SMILES

CC(C)(N)OC(=O)NC(CC(CC1=CC=C(C=C1)O)C(CC(=O)O)NC(=O)OC(C)(C)N)CC(=O)O

InChI

InChI=1S/C23H36N4O9/c1-22(2,24)35-20(33)26-15(11-18(29)30)10-14(9-13-5-7-16(28)8-6-13)17(12-19(31)32)27-21(34)36-23(3,4)25/h5-8,14-15,17,28H,9-12,24-25H2,1-4H3,(H,26,33)(H,27,34)(H,29,30)(H,31,32)