3-[[(10E,12E,20E)-15-[(E)-12-[carbamimidoyl(methyl)amino]-4-methyl-dodec-8-en-2-yl]-8,14,18,22,24,26-hexamethyl-5,7,9,19,23,25,27,31,33,34,35-undecakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[(10E,12E,20E)-15-[(E)-12-[carbamimidoyl(methyl)amino]-4-methyl-dodec-8-en-2-yl]-8,14,18,22,24,26-hexamethyl-5,7,9,19,23,25,27,31,33,34,35-undecakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[(10E,12E,20E)-15-[(E)-11-[carbamimidoyl(methyl)amino]-1,3-dimethyl-undec-7-enyl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,24,26-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxo-propanoic acid CAS Name: 3-[[(10E,12E,20E)-15-[(E)-12-[carbamimidoyl(methyl)amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,24,26-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[[(10E,12E,20E)-15-[(E)-12-[carbamimidoyl(methyl)amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,24,26-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid Traditional Name: 3-[[(10E,12E,20E)-15-[(E)-11-[amidino(methyl)amino]-1,3-dimethyl-undec-7-enyl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-17-keto-8,14,18,22,24,26-hexamethyl-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-keto-propionic acid Formula: C59H103N3O18 MolecularWeight: 1142.45842

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=CC(C(C(CC(CC(CC2CC(C(C(O2)(CC(CCCC(C(C(C(C(C(C=CC(C(C(=O)OC1C(C)CC(C)CCCC=CCCCN(C)C(=N)N)C)O)C)O)C)O)C)O)O)O)O)O)OC(=O)CC(=O)O)O)O)C)O

Isomeric SMILES

CC1/C=C/C=C/C(C(C(CC(CC(CC2CC(C(C(O2)(CC(CCCC(C(C(C(C(C(/C=C/C(C(C(=O)OC1C(C)CC(C)CCC/C=C/CCCN(C)C(=N)N)C)O)C)O)C)O)C)O)O)O)O)O)OC(=O)CC(=O)O)O)O)C)O

InChI

InChI=1S/C59H103N3O18/c1-34(19-14-12-10-11-13-17-26-62(9)58(60)61)27-37(4)55-36(3)20-15-16-22-46(65)38(5)49(68)29-43(64)28-44(78-52(72)32-51(70)71)30-45-31-50(69)56(75)59(77,80-45)33-42(63)21-18-23-47(66)39(6)54(74)41(8)53(73)35(2)24-25-48(67)40(7)57(76)79-55/h10-11,15-16,20,22,24-25,34-50,53-56,63-69,73-75,77H,12-14,17-19,21,23,26-33H2,1-9H3,(H3,60,61)(H,70,71)/b11-10+,20-15+,22-16+,25-24+