(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-nitro-2-phenylmethoxy-phenyl)propanoic acid

Systemtic Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-nitro-2-phenylmethoxy-phenyl)propanoic acid Openeye Name: (2S)-3-(2-benzyloxy-5-nitro-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(5-nitro-2-phenylmethoxyphenyl)propanoic acid IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-nitro-2-phenylmethoxyphenyl)propanoic acid Traditional Name: (2S)-3-(2-benzoxy-5-nitro-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C31H26N2O7 MolecularWeight: 538.54734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C31H26N2O7/c34-30(35)28(17-21-16-22(33(37)38)14-15-29(21)39-18-20-8-2-1-3-9-20)32-31(36)40-19-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-16,27-28H,17-19H2,(H,32,36)(H,34,35)/t28-/m0/s1