3-(2-iodanylethanoylamino)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoic acid

Systemtic Name: 3-(2-iodanylethanoylamino)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)pentanoylamino]-3-[(2-iodoacetyl)amino]propanoic acid CAS Name: 3-[(2-iodo-1-oxoethyl)amino]-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-[(2-iodoacetyl)amino]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]propanoic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)pentanoylamino]-3-[(2-iodoacetyl)amino]propionic acid Formula: C15H26IN3O6 MolecularWeight: 471.28791

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CNC(=O)CI)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC(CNC(=O)CI)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H26IN3O6/c1-5-6-9(19-14(24)25-15(2,3)4)12(21)18-10(13(22)23)8-17-11(20)7-16/h9-10H,5-8H2,1-4H3,(H,17,20)(H,18,21)(H,19,24)(H,22,23)