(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-oxidanylpyridin-1-ium-1-yl)hexanoic acid

Systemtic Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-oxidanylpyridin-1-ium-1-yl)hexanoic acid Openeye Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-hydroxypyridin-1-ium-1-yl)hexanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-6-(3-hydroxy-1-pyridin-1-iumyl)hexanoic acid IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-hydroxypyridin-1-ium-1-yl)hexanoic acid Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(3-hydroxypyridin-1-ium-1-yl)hexanoic acid Formula: C26H27N2O5+ MolecularWeight: 447.50298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCCC[N+]4=CC=CC(=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCC[N+]4=CC=CC(=C4)O)C(=O)O

InChI

InChI=1S/C26H26N2O5/c29-18-8-7-15-28(16-18)14-6-5-13-24(25(30)31)27-26(32)33-17-23-21-11-3-1-9-19(21)20-10-2-4-12-22(20)23/h1-4,7-12,15-16,23-24H,5-6,13-14,17H2,(H2-,27,29,30,31,32)/p+1/t24-/m0/s1