| Molecule Identification |
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| Common Name | 2,4-Bis(1-decyloxyethyl)deuteroporphyrinyl-6,7-bisaspartic acid |
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| Definition | Based on a literature review very few articles have been published on 2,4-Bis(1-decyloxyethyl)deuteroporphyrinyl-6,7-bisaspartic acid. |
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| Structure | CCCCCCCCCCOC(C)C1=C(C)/C2=C/C3=C(C(C)OCCCCCCCCCC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(=O)NC(CC(O)=O)C(O)=O)C(CCC(=O)NC(CC(O)=O)C(O)=O)=C3C InChI=1S/C62H88N6O12/c1-9-11-13-15-17-19-21-23-29-79-41(7)59-39(5)47-31-45-37(3)43(25-27-55(69)67-53(61(75)76)35-57(71)72)49(63-45)34-50-44(26-28-56(70)68-54(62(77)78)36-58(73)74)38(4)46(64-50)32-51-60(40(6)48(66-51)33-52(59)65-47)42(8)80-30-24-22-20-18-16-14-12-10-2/h31-34,41-42,53-54,65-66H,9-30,35-36H2,1-8H3,(H,67,69)(H,68,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)/b45-31-,46-32-,47-31-,48-33-,49-34-,50-34-,51-32-,52-33- |
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| Synonyms | | Value | Source |
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| 2,4-Bis(1-decyloxyethyl)deuteroporphyrinyl-6,7-bisaspartate | Generator |
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| Chemical Formula | C62H88N6O12 |
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| Average Molecular Weight | 1109.416 |
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| Monoisotopic Molecular Weight | 1108.646022298 |
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| IUPAC Name | 2-(3-{10,15-bis[1-(decyloxy)ethyl]-20-{2-[(1,2-dicarboxyethyl)carbamoyl]ethyl}-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl}propanamido)butanedioic acid |
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| Traditional Name | 2-(3-{10,15-bis[1-(decyloxy)ethyl]-20-{2-[(1,2-dicarboxyethyl)carbamoyl]ethyl}-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl}propanamido)butanedioic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCCCCCCCOC(C)C1=C(C)/C2=C/C3=C(C(C)OCCCCCCCCCC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(=O)NC(CC(O)=O)C(O)=O)C(CCC(=O)NC(CC(O)=O)C(O)=O)=C3C |
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| InChI Identifier | InChI=1S/C62H88N6O12/c1-9-11-13-15-17-19-21-23-29-79-41(7)59-39(5)47-31-45-37(3)43(25-27-55(69)67-53(61(75)76)35-57(71)72)49(63-45)34-50-44(26-28-56(70)68-54(62(77)78)36-58(73)74)38(4)46(64-50)32-51-60(40(6)48(66-51)33-52(59)65-47)42(8)80-30-24-22-20-18-16-14-12-10-2/h31-34,41-42,53-54,65-66H,9-30,35-36H2,1-8H3,(H,67,69)(H,68,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)/b45-31-,46-32-,47-31-,48-33-,49-34-,50-34-,51-32-,52-33- |
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| InChI Key | ASRBMCGLCGUUKP-CYPOQMGGSA-N |
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