3-[18-(2-carboxyethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-21,24-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-21,24-dihydroporphin-2-yl]propionic acid Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC1=CC3=NC(=CC4=CC(=C(N4)C=C5C(=CC(=C2)N5)CCC(=O)O)CCC(=O)O)C=C3

Isomeric SMILES

C1=CC2=NC1=CC3=NC(=CC4=CC(=C(N4)C=C5C(=CC(=C2)N5)CCC(=O)O)CCC(=O)O)C=C3

InChI

InChI=1S/C26H22N4O4/c31-25(32)7-1-15-9-21-12-19-5-3-17(27-19)11-18-4-6-20(28-18)13-22-10-16(2-8-26(33)34)24(30-22)14-23(15)29-21/h3-6,9-14,29-30H,1-2,7-8H2,(H,31,32)(H,33,34)