(2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z)-29-[2-[(4E,12E)-26-[bis(azanyl)methylideneamino]-1,3,7,9,11,15,17,18,19,21,23-undecakis(oxidanyl)hexacosa-4,12-dienyl]-1,3-dioxolan-2-yl]-2,12,14-trimethyl-13,15,28-tris(oxidanyl)triaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid

Systemtic Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z)-29-[2-[(4E,12E)-26-[bis(azanyl)methylideneamino]-1,3,7,9,11,15,17,18,19,21,23-undecakis(oxidanyl)hexacosa-4,12-dienyl]-1,3-dioxolan-2-yl]-2,12,14-trimethyl-13,15,28-tris(oxidanyl)triaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid Openeye Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z)-29-[2-[(4E,12E)-26-guanidino-1,3,7,9,11,15,17,18,19,21,23-undecahydroxy-hexacosa-4,12-dienyl]-1,3-dioxolan-2-yl]-13,15,28-trihydroxy-2,12,14-trimethyl-triaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid CAS Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z)-29-[2-[(4E,12E)-26-(diaminomethylideneamino)-1,3,7,9,11,15,17,18,19,21,23-undecahydroxyhexacosa-4,12-dienyl]-1,3-dioxolan-2-yl]-13,15,28-trihydroxy-2,12,14-trimethyltriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid IUPAC Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z)-29-[2-[(4E,12E)-26-(diaminomethylideneamino)-1,3,7,9,11,15,17,18,19,21,23-undecahydroxyhexacosa-4,12-dienyl]-1,3-dioxolan-2-yl]-13,15,28-trihydroxy-2,12,14-trimethyltriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid Traditional Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26Z)-29-[2-[(4E,12E)-26-guanidino-1,3,7,9,11,15,17,18,19,21,23-undecahydroxy-hexacosa-4,12-dienyl]-1,3-dioxolan-2-yl]-13,15,28-trihydroxy-2,12,14-trimethyl-triaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid Formula: C63H101N3O18 MolecularWeight: 1188.48534

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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)C1(OCCO1)C(CC(C=CCC(CC(CC(C=CCC(CC(C(C(CC(CC(CCCN=C(N)N)O)O)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)C1(OCCO1)C(CC(/C=C/CC(CC(CC(/C=C/CC(CC(C(C(CC(CC(CCCN=C(N)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C63H101N3O18/c1-43(25-18-14-10-9-11-15-19-26-44(2)61(81)82)59(79)45(3)54(74)32-20-16-12-7-5-6-8-13-17-21-33-55(75)46(4)63(83-35-36-84-63)58(78)42-51(71)30-23-28-48(68)38-52(72)37-47(67)27-22-29-50(70)40-56(76)60(80)57(77)41-53(73)39-49(69)31-24-34-66-62(64)65/h5-9,11-13,15-23,25-27,30,32-33,43,45-60,67-80H,10,14,24,28-29,31,34-42H2,1-4H3,(H,81,82)(H4,64,65,66)/b7-5+,8-6+,11-9+,16-12+,17-13+,19-15+,25-18+,27-22+,30-23+,32-20+,33-21-,44-26+