3-[4-[(9-oxidanylidenefluoren-2-yl)carbonylamino]phenyl]-2-[[3-(phenylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[(9-oxidanylidenefluoren-2-yl)carbonylamino]phenyl]-2-[[3-(phenylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]carbonylamino]propanoic acid Openeye Name: 2-[(3-benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)amino]-3-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[oxo-(9-oxo-2-fluorenyl)methyl]amino]phenyl]-2-[[oxo-[3-(phenylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl]methyl]amino]propanoic acid IUPAC Name: 2-[(3-benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)amino]-3-[4-[(9-oxofluorene-2-carbonyl)amino]phenyl]propanoic acid Traditional Name: 2-[(3-benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carbonyl)amino]-3-[4-[(9-ketofluorene-2-carbonyl)amino]phenyl]propionic acid Formula: C36H29N5O5 MolecularWeight: 611.64596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NN=C(N2C1C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)C6=CC=CC=C6C5=O)C(=O)O)CC7=CC=CC=C7

Isomeric SMILES

C1CC2=NN=C(N2C1C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)C6=CC=CC=C6C5=O)C(=O)O)CC7=CC=CC=C7

InChI

InChI=1S/C36H29N5O5/c42-33-27-9-5-4-8-25(27)26-15-12-23(20-28(26)33)34(43)37-24-13-10-22(11-14-24)18-29(36(45)46)38-35(44)30-16-17-31-39-40-32(41(30)31)19-21-6-2-1-3-7-21/h1-15,20,29-30H,16-19H2,(H,37,43)(H,38,44)(H,45,46)