2-[1-[3-[[4-[azanyl(morpholin-4-ium-4-ylidene)methyl]-2-fluoranyl-phenyl]carbonylamino]-2,2-dimethyl-pentanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[3-[[4-[azanyl(morpholin-4-ium-4-ylidene)methyl]-2-fluoranyl-phenyl]carbonylamino]-2,2-dimethyl-pentanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[3-[[4-[amino(morpholin-4-ium-4-ylidene)methyl]-2-fluoro-benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[3-[[[4-[amino(4-morpholin-4-iumylidene)methyl]-2-fluorophenyl]-oxomethyl]amino]-2,2-dimethyl-1-oxopentyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[3-[[4-[amino(morpholin-4-ium-4-ylidene)methyl]-2-fluorobenzoyl]amino]-2,2-dimethylpentanoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[3-[[4-[amino(morpholin-4-ium-4-ylidene)methyl]-2-fluoro-benzoyl]amino]-2,2-dimethyl-pentanoyl]-4-piperidyl]acetic acid Formula: C26H38FN4O5+ MolecularWeight: 505.602123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)C(=[N+]3CCOCC3)N)F

Isomeric SMILES

CCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)O)NC(=O)C2=C(C=C(C=C2)C(=[N+]3CCOCC3)N)F

InChI

InChI=1S/C26H37FN4O5/c1-4-21(26(2,3)25(35)31-9-7-17(8-10-31)15-22(32)33)29-24(34)19-6-5-18(16-20(19)27)23(28)30-11-13-36-14-12-30/h5-6,16-17,21,28H,4,7-15H2,1-3H3,(H2,29,32,33,34)/p+1