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

Systemtic Name: (2S)-2-[(4-butylphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: (2S)-5-(tert-butoxycarbonylamino)-2-[(4-butylphenyl)methylamino]pentanoic acid CAS Name: (2S)-2-[(4-butylphenyl)methylamino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[(4-butylphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (2S)-5-(tert-butoxycarbonylamino)-2-[(4-butylbenzyl)amino]valeric acid Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CNC(CCCNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H34N2O4/c1-5-6-8-16-10-12-17(13-11-16)15-23-18(19(24)25)9-7-14-22-20(26)27-21(2,3)4/h10-13,18,23H,5-9,14-15H2,1-4H3,(H,22,26)(H,24,25)/t18-/m0/s1