3-[(4,5-dimethoxy-2-nitro-phenyl)methylsulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methylsulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[(4,5-dimethoxy-2-nitro-phenyl)methylsulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methylthio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-nitrophenyl)methylsulfanyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[(4,5-dimethoxy-2-nitro-benzyl)thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C27H26N2O8S MolecularWeight: 538.56894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)[N+](=O)[O-])OC

InChI

InChI=1S/C27H26N2O8S/c1-35-24-11-16(23(29(33)34)12-25(24)36-2)14-38-15-22(26(30)31)28-27(32)37-13-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,21-22H,13-15H2,1-2H3,(H,28,32)(H,30,31)