diethyl 2-[[(2S,3R)-3-iodanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[(2S,3R)-3-iodanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoyl]amino]propanedioate Openeye Name: diethyl 2-[[(2S,3R)-2-(tert-butoxycarbonylamino)-3-iodo-nonanoyl]amino]propanedioate CAS Name: 2-[[(2S,3R)-3-iodo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxononyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2S,3R)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoyl]amino]propanedioate Traditional Name: 2-[[(2S,3R)-2-(tert-butoxycarbonylamino)-3-iodo-nonanoyl]amino]malonic acid diethyl ester Formula: C21H37IN2O7 MolecularWeight: 556.43215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C(=O)NC(C(=O)OCC)C(=O)OCC)NC(=O)OC(C)(C)C)I

Isomeric SMILES

CCCCCC[C@H]([C@H](C(=O)NC(C(=O)OCC)C(=O)OCC)NC(=O)OC(C)(C)C)I

InChI

InChI=1S/C21H37IN2O7/c1-7-10-11-12-13-14(22)15(24-20(28)31-21(4,5)6)17(25)23-16(18(26)29-8-2)19(27)30-9-3/h14-16H,7-13H2,1-6H3,(H,23,25)(H,24,28)/t14-,15-/m1/s1