4-[2-[3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-oxidanylidene-3-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethylamino]propyl]-22,23-dihydroporphyrin-2-yl]propanoylamino]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-[3-oxidanylidene-3-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethylamino]propyl]-22,23-dihydroporphyrin-2-yl]propanoylamino]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-[18-[3-[2-[(4-hydroxy-4-oxo-butanoyl)amino]ethylamino]-3-oxo-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-22,23-dihydroporphyrin-2-yl]propanoylamino]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[[3-[7,12-bis(ethenyl)-18-[3-[2-[(4-hydroxy-1,4-dioxobutyl)amino]ethylamino]-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-1-oxopropyl]amino]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[3-[7,12-bis(ethenyl)-18-[3-[2-[(4-hydroxy-4-oxobutanoyl)amino]ethylamino]-3-oxopropyl]-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoylamino]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[3-[18-[3-[2-[(4-hydroxy-4-keto-butanoyl)amino]ethylamino]-3-keto-propyl]-3,8,13,17-tetramethyl-7,12-divinyl-22,23-dihydroporphin-2-yl]propanoylamino]ethylamino]-4-keto-butyric acid Formula: C46H54N8O8 MolecularWeight: 846.96976

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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)NCCNC(=O)CCC(=O)O)CCC(=O)NCCNC(=O)CCC(=O)O)C)C=C)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)NCCNC(=O)CCC(=O)O)CCC(=O)NCCNC(=O)CCC(=O)O)C)C=C)C)C=C

InChI

InChI=1S/C46H54N8O8/c1-7-29-25(3)33-21-34-27(5)31(9-11-41(55)47-17-19-49-43(57)13-15-45(59)60)39(53-34)24-40-32(10-12-42(56)48-18-20-50-44(58)14-16-46(61)62)28(6)36(54-40)23-38-30(8-2)26(4)35(52-38)22-37(29)51-33/h7-8,21-24,51-52H,1-2,9-20H2,3-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)(H,59,60)(H,61,62)