3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethanoyloxy]ethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethanoyloxy]ethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8-vinyl-22,23-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-1-oxoethoxy]ethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[13-[1-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]oxyethoxy]ethyl]-18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8-vinyl-22,23-dihydroporphin-2-yl]propionic acid Formula: C50H61N7O15 MolecularWeight: 1000.05724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C)C=C

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C(C)OCCOC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C)C=C

InChI

InChI=1S/C50H61N7O15/c1-7-32-27(2)35-18-36-28(3)33(8-10-43(58)59)40(52-36)21-41-34(9-11-44(60)61)29(4)37(53-41)20-42-50(30(5)38(54-42)19-39(32)51-35)31(6)71-16-17-72-49(70)26-57(25-48(68)69)15-13-55(22-45(62)63)12-14-56(23-46(64)65)24-47(66)67/h7,18-21,31,51,54H,1,8-17,22-26H2,2-6H3,(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)