(2E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1-propylimidazol-4-yl)methylidene]pentanoic acid

Systemtic Name: (2E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1-propylimidazol-4-yl)methylidene]pentanoic acid Openeye Name: (2E)-5-(tert-butoxycarbonylamino)-2-[(1-propylimidazol-4-yl)methylene]pentanoic acid CAS Name: (2E)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(1-propyl-4-imidazolyl)methylidene]pentanoic acid IUPAC Name: (2E)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1-propylimidazol-4-yl)methylidene]pentanoic acid Traditional Name: (E)-2-[3-(tert-butoxycarbonylamino)propyl]-3-(1-propylimidazol-4-yl)acrylic acid Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)C=C(CCCNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCN1C=C(N=C1)/C=C(\CCCNC(=O)OC(C)(C)C)/C(=O)O

InChI

InChI=1S/C17H27N3O4/c1-5-9-20-11-14(19-12-20)10-13(15(21)22)7-6-8-18-16(23)24-17(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,23)(H,21,22)/b13-10+