(2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[azanyl-[(E)-pyridin-2-ylmethylideneamino]methylidene]amino]-2,12,14,29-tetramethyl-13,15,28,31,33,37,39,41,45,47,51,53-dodecakis(oxidanyl)-30-oxidanylidene-hexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid

Systemtic Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[azanyl-[(E)-pyridin-2-ylmethylideneamino]methylidene]amino]-2,12,14,29-tetramethyl-13,15,28,31,33,37,39,41,45,47,51,53-dodecakis(oxidanyl)-30-oxidanylidene-hexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid Openeye Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[amino-[(E)-2-pyridylmethyleneamino]methylene]amino]-13,15,28,31,33,37,39,41,45,47,51,53-dodecahydroxy-2,12,14,29-tetramethyl-30-oxo-hexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid CAS Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[amino-[(E)-2-pyridinylmethylideneamino]methylidene]amino]-13,15,28,31,33,37,39,41,45,47,51,53-dodecahydroxy-2,12,14,29-tetramethyl-30-oxohexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid IUPAC Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[amino-[(E)-pyridin-2-ylmethylideneamino]methylidene]amino]-13,15,28,31,33,37,39,41,45,47,51,53-dodecahydroxy-2,12,14,29-tetramethyl-30-oxohexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid Traditional Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z,34E,42E,48E)-56-[[amino-[(E)-2-pyridylmethyleneamino]methylene]amino]-13,15,28,31,33,37,39,41,45,47,51,53-dodecahydroxy-30-keto-2,12,14,29-tetramethyl-hexapentaconta-2,4,6,10,16,18,20,22,24,26,34,42,48-tridecaenoic acid Formula: C67H98N4O15 MolecularWeight: 1199.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCCC=CC=CC=C(C)C(=O)O)C(C(C)C(C=CC=CC=CC=CC=CC=CC(C(C)C(=O)C(CC(C=CCC(CC(CC(C=CCC(CC(C=CCC(CC(CCCN=C(N)N=CC1=CC=CC=N1)O)O)O)O)O)O)O)O)O)O)O)O

Isomeric SMILES

CC(/C=C/CC/C=C/C=C/C=C(\C)/C(=O)O)C(C(C)C(/C=C/C=C/C=C/C=C/C=C/C=C\C(C(C)C(=O)C(CC(/C=C/CC(CC(CC(/C=C/CC(CC(/C=C/CC(CC(CCCN=C(N)/N=C/C1=CC=CC=N1)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C67H98N4O15/c1-48(28-18-14-10-9-11-15-19-29-49(2)66(85)86)64(83)50(3)61(80)38-20-16-12-7-5-6-8-13-17-21-39-62(81)51(4)65(84)63(82)46-59(78)36-26-35-57(76)45-60(79)44-56(75)34-25-33-54(73)42-53(72)31-24-32-55(74)43-58(77)37-27-41-70-67(68)71-47-52-30-22-23-40-69-52/h5-9,11-13,15-26,28-31,34,36,38-40,47-48,50-51,53-64,72-83H,10,14,27,32-33,35,37,41-46H2,1-4H3,(H2,68,70)(H,85,86)/b7-5+,8-6+,11-9+,16-12+,17-13+,19-15+,28-18+,31-24+,34-25+,36-26+,38-20+,39-21-,49-29+,71-47+