(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,37E,43E,51E)-59-azanyl-2,12,14,31-tetramethyl-13,15,30,34,36,40,42,46,48,50,54,56-dodecakis(oxidanyl)-32-oxidanylidene-nonapentaconta-2,4,6,10,16,18,20,22,24,26,37,43,51-tridecaenoic acid

Systemtic Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,37E,43E,51E)-59-azanyl-2,12,14,31-tetramethyl-13,15,30,34,36,40,42,46,48,50,54,56-dodecakis(oxidanyl)-32-oxidanylidene-nonapentaconta-2,4,6,10,16,18,20,22,24,26,37,43,51-tridecaenoic acid Openeye Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,37E,43E,51E)-59-amino-13,15,30,34,36,40,42,46,48,50,54,56-dodecahydroxy-2,12,14,31-tetramethyl-32-oxo-nonapentaconta-2,4,6,10,16,18,20,22,24,26,37,43,51-tridecaenoic acid CAS Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,37E,43E,51E)-59-amino-13,15,30,34,36,40,42,46,48,50,54,56-dodecahydroxy-2,12,14,31-tetramethyl-32-oxononapentaconta-2,4,6,10,16,18,20,22,24,26,37,43,51-tridecaenoic acid IUPAC Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,37E,43E,51E)-59-amino-13,15,30,34,36,40,42,46,48,50,54,56-dodecahydroxy-2,12,14,31-tetramethyl-32-oxononapentaconta-2,4,6,10,16,18,20,22,24,26,37,43,51-tridecaenoic acid Traditional Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,37E,43E,51E)-59-amino-13,15,30,34,36,40,42,46,48,50,54,56-dodecahydroxy-32-keto-2,12,14,31-tetramethyl-nonapentaconta-2,4,6,10,16,18,20,22,24,26,37,43,51-tridecaenoic acid Formula: C63H99NO15 MolecularWeight: 1110.45786

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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=CCCC(C(C)C(=O)CC(CC(C=CCC(CC(C=CCC(CC(CC(C=CCC(CC(CCCN)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/CCC(C(C)C(=O)CC(CC(/C=C/CC(CC(/C=C/CC(CC(CC(/C=C/CC(CC(CCCN)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C63H99NO15/c1-46(28-20-16-12-11-13-17-21-29-47(2)63(78)79)62(77)49(4)60(75)38-23-19-15-10-8-6-5-7-9-14-18-22-37-59(74)48(3)61(76)45-58(73)44-55(70)35-26-31-51(66)40-50(65)30-24-33-53(68)42-57(72)43-54(69)34-25-32-52(67)41-56(71)36-27-39-64/h5-11,13-15,17-21,23-26,28-30,34-35,38,46,48-60,62,65-75,77H,12,16,22,27,31-33,36-37,39-45,64H2,1-4H3,(H,78,79)/b6-5+,9-7+,10-8+,13-11+,18-14+,19-15+,21-17+,28-20+,30-24+,34-25+,35-26+,38-23+,47-29+