3-[7,12,17-tris(2-carboxyethyl)-21,22-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[7,12,17-tris(2-carboxyethyl)-21,22-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[7,12,17-tris(2-carboxyethyl)-21,22-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[7,12,17-tris(2-carboxyethyl)-21,22-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[7,12,17-tris(2-carboxyethyl)-21,22-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[7,12,17-tris(2-carboxyethyl)-21,22-dihydroporphin-2-yl]propionic acid Formula: C32H30N4O8 MolecularWeight: 598.6026

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C3C(=CC(=N3)C=C4C(=CC(=N4)C=C5C(=CC(=CC(=C1CCC(=O)O)N2)N5)CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=C2C=C3C(=CC(=N3)C=C4C(=CC(=N4)C=C5C(=CC(=CC(=C1CCC(=O)O)N2)N5)CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C32H30N4O8/c37-29(38)5-1-17-9-21-14-26-19(3-7-31(41)42)11-23(35-26)16-28-20(4-8-32(43)44)12-24(36-28)15-27-18(2-6-30(39)40)10-22(34-27)13-25(17)33-21/h9-16,33-34H,1-8H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)