(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-oxidanidylpyridin-1-ium-4-yl)propanoic acid

Systemtic Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-oxidanidylpyridin-1-ium-4-yl)propanoic acid Openeye Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-oxidopyridin-1-ium-4-yl)propanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(1-oxido-4-pyridin-1-iumyl)propanoic acid IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-oxidopyridin-1-ium-4-yl)propanoic acid Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-oxidopyridin-1-ium-4-yl)propionic acid Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=[N+](C=C4)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=[N+](C=C4)[O-])C(=O)O

InChI

InChI=1S/C23H20N2O5/c26-22(27)21(13-15-9-11-25(29)12-10-15)24-23(28)30-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,24,28)(H,26,27)/t21-/m0/s1