3-[13,17-bis(2-carboxyethyl)-21,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[13,17-bis(2-carboxyethyl)-21,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[13,17-bis(2-carboxyethyl)-21,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[13,17-bis(2-carboxyethyl)-21,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[13,17-bis(2-carboxyethyl)-21,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[13,17-bis(2-carboxyethyl)-21,23-dihydroporphin-2-yl]propionic acid Formula: C29H26N4O6 MolecularWeight: 526.53994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC1=CC3=CC(=C(N3)C=C4C(=CC(=N4)C=C5C(=CC(=C2)N5)CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC2=NC1=CC3=CC(=C(N3)C=C4C(=CC(=N4)C=C5C(=CC(=C2)N5)CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C29H26N4O6/c34-27(35)6-1-16-9-21-12-19-4-5-20(30-19)13-22-10-17(2-7-28(36)37)25(32-22)15-26-18(3-8-29(38)39)11-23(33-26)14-24(16)31-21/h4-5,9-15,31-32H,1-3,6-8H2,(H,34,35)(H,36,37)(H,38,39)