4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2-(14-oxidanylidenetetradecyl)octanedioic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-2-(14-oxidanylidenetetradecyl)octanedioic acid Openeye Name: 4-(tert-butoxycarbonylamino)-3-oxo-2-(14-oxotetradecyl)octanedioic acid CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-2-(14-oxotetradecyl)octanedioic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-2-(14-oxotetradecyl)octanedioic acid Traditional Name: 4-(tert-butoxycarbonylamino)-3-keto-2-(14-ketotetradecyl)suberic acid Formula: C27H47NO8 MolecularWeight: 513.66398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC(=O)O)C(=O)C(CCCCCCCCCCCCCC=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC(=O)O)C(=O)C(CCCCCCCCCCCCCC=O)C(=O)O

InChI

InChI=1S/C27H47NO8/c1-27(2,3)36-26(35)28-22(18-16-19-23(30)31)24(32)21(25(33)34)17-14-12-10-8-6-4-5-7-9-11-13-15-20-29/h20-22H,4-19H2,1-3H3,(H,28,35)(H,30,31)(H,33,34)