(13E,15E)-4,8,12-trimethyl-3,7,9,11-tetrakis(oxidanyl)-17-oxidanylidene-17-[(4E,12E,14E)-9,11,15,17-tetramethyl-1-[(N'-methylcarbamimidoyl)amino]-16,18,20,22,24,26-hexakis(oxidanyl)hexacosa-4,12,14-trien-10-yl]oxy-heptadeca-13,15-dienoic acid

Systemtic Name: (13E,15E)-4,8,12-trimethyl-3,7,9,11-tetrakis(oxidanyl)-17-oxidanylidene-17-[(4E,12E,14E)-9,11,15,17-tetramethyl-1-[(N'-methylcarbamimidoyl)amino]-16,18,20,22,24,26-hexakis(oxidanyl)hexacosa-4,12,14-trien-10-yl]oxy-heptadeca-13,15-dienoic acid Openeye Name: (13E,15E)-17-[(3E,5E)-7,9,11,13,15,17-hexahydroxy-2,6,8-trimethyl-1-[(E)-1-methyl-9-[(N'-methylcarbamimidoyl)amino]non-5-enyl]heptadeca-3,5-dienoxy]-3,7,9,11-tetrahydroxy-4,8,12-trimethyl-17-oxo-heptadeca-13,15-dienoic acid CAS Name: (13E,15E)-17-[(4E,12E,14E)-1-[[amino(methylimino)methyl]amino]-16,18,20,22,24,26-hexahydroxy-9,11,15,17-tetramethylhexacosa-4,12,14-trien-10-yl]oxy-3,7,9,11-tetrahydroxy-4,8,12-trimethyl-17-oxoheptadeca-13,15-dienoic acid IUPAC Name: (13E,15E)-17-[(4E,12E,14E)-16,18,20,22,24,26-hexahydroxy-9,11,15,17-tetramethyl-1-[(N'-methylcarbamimidoyl)amino]hexacosa-4,12,14-trien-10-yl]oxy-3,7,9,11-tetrahydroxy-4,8,12-trimethyl-17-oxoheptadeca-13,15-dienoic acid Traditional Name: (13E,15E)-17-[(3E,5E)-7,9,11,13,15,17-hexahydroxy-2,6,8-trimethyl-1-[(E)-1-methyl-9-[(N'-methylamidino)amino]non-5-enyl]heptadeca-3,5-dienoxy]-3,7,9,11-tetrahydroxy-17-keto-4,8,12-trimethyl-heptadeca-13,15-dienoic acid Formula: C52H93N3O14 MolecularWeight: 984.30652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CCCCNC(=NC)N)C(C(C)C=CC=C(C)C(C(C)C(CC(CC(CC(CCO)O)O)O)O)O)OC(=O)C=CC=CC(C)C(CC(C(C)C(CCC(C)C(CC(=O)O)O)O)O)O

Isomeric SMILES

CC(CCC/C=C/CCCNC(=NC)N)C(C(C)/C=C/C=C(\C)/C(C(C)C(CC(CC(CC(CCO)O)O)O)O)O)OC(=O)/C=C/C=C/C(C)C(CC(C(C)C(CCC(C)C(CC(=O)O)O)O)O)O

InChI

InChI=1S/C52H93N3O14/c1-33(44(61)31-47(64)38(6)43(60)24-23-34(2)45(62)32-48(65)66)18-14-15-22-49(67)69-51(36(4)19-13-11-9-10-12-16-26-55-52(53)54-8)37(5)21-17-20-35(3)50(68)39(7)46(63)30-42(59)29-41(58)28-40(57)25-27-56/h9-10,14-15,17-18,20-22,33-34,36-47,50-51,56-64,68H,11-13,16,19,23-32H2,1-8H3,(H,65,66)(H3,53,54,55)/b10-9+,18-14+,21-17+,22-15+,35-20+