3-[[(10E,12E,18E,20E)-15-[(E)-10-(aminocarbonylamino)dec-6-en-2-yl]-10,14,22,26,30-pentamethyl-5,7,9,23,25,27,31,33,34,35-decakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[(10E,12E,18E,20E)-15-[(E)-10-(aminocarbonylamino)dec-6-en-2-yl]-10,14,22,26,30-pentamethyl-5,7,9,23,25,27,31,33,34,35-decakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[(10E,12E,18E,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-15-[(E)-1-methyl-9-ureido-non-5-enyl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxo-propanoic acid CAS Name: 3-[[(10E,12E,18E,20E)-15-[(E)-10-(carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[[(10E,12E,18E,20E)-15-[(E)-10-(carbamoylamino)dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid Traditional Name: 3-[[(10E,12E,18E,20E)-5,7,9,23,25,27,31,33,34,35-decahydroxy-17-keto-10,14,22,26,30-pentamethyl-15-[(E)-1-methyl-9-ureido-non-5-enyl]-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-keto-propionic acid Formula: C54H90N2O18 MolecularWeight: 1055.295

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C(CC(C(C=CC=CC(=O)OC(C(C=CC=C(C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)O)C)C)C(C)CCCC=CCCCNC(=O)N)C)O)O)C)O

Isomeric SMILES

CC1CCC(C(C(CC(C(/C=C/C=C/C(=O)OC(C(/C=C/C=C(/C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)O)\C)C)C(C)CCC/C=C/CCCNC(=O)N)C)O)O)C)O

InChI

InChI=1S/C54H90N2O18/c1-32-16-12-13-20-49(67)73-51(35(4)17-11-9-7-8-10-14-23-56-53(55)70)36(5)19-15-18-33(2)43(60)26-39(58)24-38(57)25-40(72-50(68)30-48(65)66)27-41-28-46(63)52(69)54(71,74-41)31-47(64)34(3)21-22-42(59)37(6)45(62)29-44(32)61/h7-8,12-13,15-16,18-20,32,34-47,51-52,57-64,69,71H,9-11,14,17,21-31H2,1-6H3,(H,65,66)(H3,55,56,70)/b8-7+,16-12+,19-15+,20-13+,33-18+