6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-hexadecanoic acid

Systemtic Name: 6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-hexadecanoic acid Openeye Name: 6-amino-2-(tert-butoxycarbonylamino)-7-oxo-hexadecanoic acid CAS Name: 6-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxohexadecanoic acid IUPAC Name: 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxohexadecanoic acid Traditional Name: 6-amino-2-(tert-butoxycarbonylamino)-7-keto-palmitic acid Formula: C21H40N2O5 MolecularWeight: 400.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C(CCCC(C(=O)O)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CCCCCCCCCC(=O)C(CCCC(C(=O)O)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C21H40N2O5/c1-5-6-7-8-9-10-11-15-18(24)16(22)13-12-14-17(19(25)26)23-20(27)28-21(2,3)4/h16-17H,5-15,22H2,1-4H3,(H,23,27)(H,25,26)