(2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-octoxyphenyl)methylamino]pentanoic acid

Systemtic Name: (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-octoxyphenyl)methylamino]pentanoic acid Openeye Name: (2S)-5-(tert-butoxycarbonylamino)-2-[(4-octoxyphenyl)methylamino]pentanoic acid CAS Name: (2S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(4-octoxyphenyl)methylamino]pentanoic acid IUPAC Name: (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-octoxyphenyl)methylamino]pentanoic acid Traditional Name: (2S)-5-(tert-butoxycarbonylamino)-2-[(4-octoxybenzyl)amino]valeric acid Formula: C25H42N2O5 MolecularWeight: 450.61138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CNC(CCCNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CN[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C25H42N2O5/c1-5-6-7-8-9-10-18-31-21-15-13-20(14-16-21)19-27-22(23(28)29)12-11-17-26-24(30)32-25(2,3)4/h13-16,22,27H,5-12,17-19H2,1-4H3,(H,26,30)(H,28,29)/t22-/m0/s1