(10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine

C297H462N10O80 — CID 159876073

IUPAC(10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine
SMILESC/C=N/CCCC(O)CC(O)C/C=C/C(O)CC(O)CC(O)CC(O)C/C=C/C(O)CC(O)CC(O)CC(=O)C(C)C.CC(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C/c1ccccc1.CC(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CC(C)C(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCN.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/3C43H59NO10.C43H57NO10.C36H59NO10.C31H57NO10.C30H57N3O10.C28H55NO10/c4*1-30(24-20-16-12-8-5-6-11-15-19-23-27-37(48)44-38-35(46)28-29-36(38)47)39(49)32(3)34(45)26-22-18-14-10-7-9-13-17-21-25-31(2)53-43-42(52)41(51)40(50)33(4)54-43;1-25(2)36(47)23-35(46)22-34(45)20-30(41)14-7-13-29(40)19-33(44)21-32(43)18-28(39)12-6-11-27(38)17-31(42)15-8-16-37-24-26-9-4-3-5-10-26;1-4-32-13-7-12-26(37)14-22(33)8-5-9-23(34)15-27(38)18-28(39)16-24(35)10-6-11-25(36)17-29(40)19-30(41)20-31(42)21(2)3;1-19(2)29(43)18-28(42)17-27(41)15-23(37)9-4-8-22(36)14-26(40)16-25(39)13-21(35)7-3-6-20(34)12-24(38)10-5-11-33-30(31)32;1-18(2)28(39)17-27(38)16-26(37)14-22(33)8-4-7-21(32)13-25(36)15-24(35)12-20(31)6-3-5-19(30)11-23(34)9-10-29/h3*5-11,13-15,17-24,26-27,30-34,39-43,45-46,49-52H,12,16,25,28-29H2,1-4H3,(H,44,48);5-24,26-27,30-34,39-43,45-46,49-52H,25,28-29H2,1-4H3,(H,44,48);3-7,9-10,12,14,24-25,27-35,38-46H,8,11,13,15-23H2,1-2H3;4-6,9,11,21-30,33-41H,7-8,10,12-20H2,1-3H3;3-4,7,9,19-28,34-42H,5-6,8,10-18H2,1-2H3,(H4,31,32,33);3-4,6,8,18-28,30-39H,5,7,9-17,29H2,1-2H3/b3*8-5+,10-7+,11-6+,13-9+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+;8-5+,10-7+,11-6+,13-9+,16-12+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+;12-6+,14-7+,37-24+;9-5+,11-6+,32-4+;7-3+,9-4+;6-3+,8-4+
InChIKeyNSXQDWOOUHDNKX-ZPHZZZFTSA-N
MW5452.95 g/mol
LogP21.85
Rot. Bonds182

About (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine

(10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine (PubChem CID 159876073) has the molecular formula C297H462N10O80 and a molecular weight of 5452.95 g/mol. Its IUPAC name is (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine.

Molecular Properties

Compound Name(10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine
PubChem CID159876073
Molecular FormulaC297H462N10O80
Molecular Weight5452.95 g/mol
Exact Mass5449.24
IUPAC Name(10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine
SMILESC/C=N/CCCC(O)CC(O)C/C=C/C(O)CC(O)CC(O)CC(O)C/C=C/C(O)CC(O)CC(O)CC(=O)C(C)C.CC(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C/c1ccccc1.CC(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CC(C)C(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCN.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/3C43H59NO10.C43H57NO10.C36H59NO10.C31H57NO10.C30H57N3O10.C28H55NO10/c4*1-30(24-20-16-12-8-5-6-11-15-19-23-27-37(48)44-38-35(46)28-29-36(38)47)39(49)32(3)34(45)26-22-18-14-10-7-9-13-17-21-25-31(2)53-43-42(52)41(51)40(50)33(4)54-43;1-25(2)36(47)23-35(46)22-34(45)20-30(41)14-7-13-29(40)19-33(44)21-32(43)18-28(39)12-6-11-27(38)17-31(42)15-8-16-37-24-26-9-4-3-5-10-26;1-4-32-13-7-12-26(37)14-22(33)8-5-9-23(34)15-27(38)18-28(39)16-24(35)10-6-11-25(36)17-29(40)19-30(41)20-31(42)21(2)3;1-19(2)29(43)18-28(42)17-27(41)15-23(37)9-4-8-22(36)14-26(40)16-25(39)13-21(35)7-3-6-20(34)12-24(38)10-5-11-33-30(31)32;1-18(2)28(39)17-27(38)16-26(37)14-22(33)8-4-7-21(32)13-25(36)15-24(35)12-20(31)6-3-5-19(30)11-23(34)9-10-29/h3*5-11,13-15,17-24,26-27,30-34,39-43,45-46,49-52H,12,16,25,28-29H2,1-4H3,(H,44,48);5-24,26-27,30-34,39-43,45-46,49-52H,25,28-29H2,1-4H3,(H,44,48);3-7,9-10,12,14,24-25,27-35,38-46H,8,11,13,15-23H2,1-2H3;4-6,9,11,21-30,33-41H,7-8,10,12-20H2,1-3H3;3-4,7,9,19-28,34-42H,5-6,8,10-18H2,1-2H3,(H4,31,32,33);3-4,6,8,18-28,30-39H,5,7,9-17,29H2,1-2H3/b3*8-5+,10-7+,11-6+,13-9+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+;8-5+,10-7+,11-6+,13-9+,16-12+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+;12-6+,14-7+,37-24+;9-5+,11-6+,32-4+;7-3+,9-4+;6-3+,8-4+
InChIKeyNSXQDWOOUHDNKX-ZPHZZZFTSA-N
XLogP21.85
TPSA1658.90 Ų
H-Bond Donors68
H-Bond Acceptors84
Rotatable Bonds182
Heavy Atoms387
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005452.95
LogP ≤ 521.85
H-Bond Donors ≤ 568
H-Bond Acceptors ≤ 1084

Analyze (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine with MolForge

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Related Compounds

(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-(diaminomethylideneamino)-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16,30-trimethyl-31-oxo-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide
CID 10057266
(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide;2-methyl-N-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]propanamide
CID 159649457
(13E,23E)-31-amino-4,8,10,12,16,18,20,22,26,28-decahydroxy-5-methylhentriaconta-1,13,23-trien-6-one;(2E,4E,6E,8E,10E,14E,20E,22E,24E,26E)-17,19-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-16,18-dimethylnonacosa-2,4,6,8,10,14,20,22,24,26,28-undecaenamide;2-methyl-6-propan-2-yloxane-3,4,5-triol
CID 160891922
(2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide
CID 59713269
methyl (2E,4E,6E,8E,12E,18E,20E,22E,24E,26E,38E,48E)-56-amino-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-14,16,30-trimethyl-31-oxo-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenoate
CID 11818765
(6E,8E)-N-(2,5-dioxocyclopentyl)-15,17-dihydroxy-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide
CID 91177655
(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,36E)-43-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-13,15,29,33,35,39,41,43-octahydroxy-2,12,14,30-tetramethyl-31-oxotritetraconta-2,4,6,10,16,18,20,22,24,26,36-undecaenoic acid
CID 59980921
49-[3-[7-(diaminomethylideneamino)-2,4-dihydroxyheptyl]oxiran-2-yl]-13,15,33,35,39,41,43,47,49-nonahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxynonatetraconta-2,4,6,10,16,18,20,22,24,26,36,44-dodecaenoic acid
CID 72613011
(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,36E,44E)-31-benzylimino-58-(diaminomethylideneamino)-13,15,29,33,35,39,41,43,47,49,50,51,53,55-tetradecahydroxy-2,12,14,30-tetramethyloctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44-dodecaenoic acid
CID 59980976
(15S)-38-amino-15,17,19,23,25,27,29,33,35-nonahydroxy-12-methyl-11-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoctatriaconta-2,4,6,8,20,30-hexaen-13-one
CID 90992656
(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,36E)-43-[3-[(E)-13-(diaminomethylideneamino)-2,4,8,10-tetrahydroxytridec-5-enyl]oxiran-2-yl]-13,15,29,33,35,39,41,43-octahydroxy-2,12,14,30-tetramethyl-31-propan-2-yliminotritetraconta-2,4,6,10,16,18,20,22,24,26,36-undecaenoic acid
CID 59980924
30-[2-[27-(diaminomethylideneamino)-2,4,8,10,12,16,18,19,20,22,24-undecahydroxyheptacosa-5,13-dienyl]-1,3-dioxolan-2-yl]-13,15,29-trihydroxy-2,12,14-trimethylhentriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid
CID 72613032

Frequently Asked Questions

What is the IUPAC name of (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine?
The IUPAC name of (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine (CID 159876073) is (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine.
What is the SMILES notation for (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine?
The canonical SMILES for (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine is C/C=N/CCCC(O)CC(O)C/C=C/C(O)CC(O)CC(O)CC(O)C/C=C/C(O)CC(O)CC(O)CC(=O)C(C)C.CC(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C/c1ccccc1.CC(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CC(C)C(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCN.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.CC(C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC1=C(O)CCC1=O)OC1OC(C)C(O)C(O)C1O.
What is the InChIKey of (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine?
The InChIKey is NSXQDWOOUHDNKX-ZPHZZZFTSA-N. The full InChI is InChI=1S/3C43H59NO10.C43H57NO10.C36H59NO10.C31H57NO10.C30H57N3O10.C28H55NO10/c4*1-30(24-20-16-12-8-5-6-11-15-19-23-27-37(48)44-38-35(46)28-29-36(38)47)39(49)32(3)34(45)26-22-18-14-10-7-9-13-17-21-25-31(2)53-43-42(52)41(51)40(50)33(4)54-43;1-25(2)36(47)23-35(46)22-34(45)20-30(41)14-7-13-29(40)19-33(44)21-32(43)18-28(39)12-6-11-27(38)17-31(42)15-8-16-37-24-26-9-4-3-5-10-26;1-4-32-13-7-12-26(37)14-22(33)8-5-9-23(34)15-27(38)18-28(39)16-24(35)10-6-11-25(36)17-29(40)19-30(41)20-31(42)21(2)3;1-19(2)29(43)18-28(42)17-27(41)15-23(37)9-4-8-22(36)14-26(40)16-25(39)13-21(35)7-3-6-20(34)12-24(38)10-5-11-33-30(31)32;1-18(2)28(39)17-27(38)16-26(37)14-22(33)8-4-7-21(32)13-25(36)15-24(35)12-20(31)6-3-5-19(30)11-23(34)9-10-29/h3*5-11,13-15,17-24,26-27,30-34,39-43,45-46,49-52H,12,16,25,28-29H2,1-4H3,(H,44,48);5-24,26-27,30-34,39-43,45-46,49-52H,25,28-29H2,1-4H3,(H,44,48);3-7,9-10,12,14,24-25,27-35,38-46H,8,11,13,15-23H2,1-2H3;4-6,9,11,21-30,33-41H,7-8,10,12-20H2,1-3H3;3-4,7,9,19-28,34-42H,5-6,8,10-18H2,1-2H3,(H4,31,32,33);3-4,6,8,18-28,30-39H,5,7,9-17,29H2,1-2H3/b3*8-5+,10-7+,11-6+,13-9+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+;8-5+,10-7+,11-6+,13-9+,16-12+,18-14+,19-15+,21-17+,24-20+,26-22+,27-23+;12-6+,14-7+,37-24+;9-5+,11-6+,32-4+;7-3+,9-4+;6-3+,8-4+.
What are the key properties of (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine?
(10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine has a molecular weight of 5452.95 g/mol, XLogP of 21.85, 182 rotatable bonds, 68 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,20E)-27-amino-2-methylheptacosa-10,20-diene-3,5,7,9,13,15,17,19,23,25-decol;(10E,20E)-28-(benzylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;tris((2E,4E,6E,8E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,12,18,20,22,24,26-decaenamide);(2E,4E,6E,8E,10E,12E,18E,20E,22E,24E,26E)-15,17-dihydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16-dimethyl-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxytriaconta-2,4,6,8,10,12,18,20,22,24,26-undecaenamide;(10E,20E)-28-(ethylideneamino)-5,7,9,13,15,17,19,23,25-nonahydroxy-2-methyloctacosa-10,20-dien-3-one;2-[(8E,18E)-4,6,10,12,14,16,20,22,24-nonahydroxy-27-methyl-26-oxooctacosa-8,18-dienyl]guanidine is sourced from PubChem (CID 159876073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).