3-[18-(2-carboxyethyl)-7-ethyl-17-methanoyl-3,8,13-trimethyl-12-(5,9,13,17-tetramethyl-1-oxidanyl-octadecyl)-23,24-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[18-(2-carboxyethyl)-7-ethyl-17-methanoyl-3,8,13-trimethyl-12-(5,9,13,17-tetramethyl-1-oxidanyl-octadecyl)-23,24-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[18-(2-carboxyethyl)-7-ethyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyl-octadecyl)-3,8,13-trimethyl-23,24-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[18-(2-carboxyethyl)-7-ethyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyloctadecyl)-3,8,13-trimethyl-23,24-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[18-(2-carboxyethyl)-7-ethyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyloctadecyl)-3,8,13-trimethyl-23,24-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[18-(2-carboxyethyl)-7-ethyl-17-formyl-12-(1-hydroxy-5,9,13,17-tetramethyl-octadecyl)-3,8,13-trimethyl-23,24-dihydroporphin-2-yl]propionic acid Formula: C54H76N4O6 MolecularWeight: 877.20444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5CCC(=O)O)C)N4)CCC(=O)O)C=O)C)C(CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)O)C

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5CCC(=O)O)C)N4)CCC(=O)O)C=O)C)C(CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)O)C

InChI

InChI=1S/C54H76N4O6/c1-10-39-36(7)44-29-50-54(51(60)22-14-21-35(6)20-13-19-34(5)18-12-17-33(4)16-11-15-32(2)3)38(9)45(57-50)28-49-42(31-59)41(24-26-53(63)64)48(58-49)30-47-40(23-25-52(61)62)37(8)43(56-47)27-46(39)55-44/h27-35,51,57-58,60H,10-26H2,1-9H3,(H,61,62)(H,63,64)