N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide

C210H378N18O94 — CID 162012792

IUPACN-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide
SMILESCCC(=O)CCCCC(=O)NCCCC[C@@H](C(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCC(=O)CCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CC)C(=O)CC(CCCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CC)C(=O)CC(CCCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/2C58H104N4O24.C52H95N5O23.C42H75N5O23/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-17-45(71)62-37(20-19-36(66)4-2)38(67)32-58(24-21-43(69)60-27-30-82-56-53(79)50(76)47(73)40(34-64)85-56,25-22-44(70)61-28-31-83-57-54(80)51(77)48(74)41(35-65)86-57)23-16-18-42(68)59-26-29-81-55-52(78)49(75)46(72)39(33-63)84-55;1-2-32(61)17-13-11-9-7-5-3-4-6-8-10-12-14-19-37(62)53-20-16-15-18-33(49(74)56-23-26-77-52-48(73)45(70)42(67)36(31-60)80-52)57(27-38(63)54-21-24-75-50-46(71)43(68)40(65)34(29-58)78-50)28-39(64)55-22-25-76-51-47(72)44(69)41(66)35(30-59)79-51;1-2-22(51)7-3-4-9-27(52)43-10-6-5-8-23(39(64)46-13-16-67-42-38(63)35(60)32(57)26(21-50)70-42)47(17-28(53)44-11-14-65-40-36(61)33(58)30(55)24(19-48)68-40)18-29(54)45-12-15-66-41-37(62)34(59)31(56)25(20-49)69-41/h2*37,39-41,46-57,63-65,72-80H,3-35H2,1-2H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71);33-36,40-48,50-52,58-60,65-73H,2-31H2,1H3,(H,53,62)(H,54,63)(H,55,64)(H,56,74);23-26,30-38,40-42,48-50,55-63H,2-21H2,1H3,(H,43,52)(H,44,53)(H,45,54)(H,46,64)/t37-,39+,40+,41+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55?,56?,57?,58?;37-,39+,40+,41+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55?,56-,57?,58?;33-,34+,35+,36+,40+,41+,42+,43-,44-,45-,46-,47-,48-,50-,51-,52-;23-,24+,25+,26+,30+,31+,32+,33-,34-,35-,36-,37-,38-,40-,41-,42-/m0000/s1
InChIKeyYTRTYHIZSHZMIL-KYPVILGNSA-N
MW4659.37 g/mol
LogP-17.94
Rot. Bonds166

About N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide

N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide (PubChem CID 162012792) has the molecular formula C210H378N18O94 and a molecular weight of 4659.37 g/mol. Its IUPAC name is N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide.

Molecular Properties

Compound NameN-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide
PubChem CID162012792
Molecular FormulaC210H378N18O94
Molecular Weight4659.37 g/mol
Exact Mass4656.54
IUPAC NameN-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide
SMILESCCC(=O)CCCCC(=O)NCCCC[C@@H](C(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCC(=O)CCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CC)C(=O)CC(CCCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CC)C(=O)CC(CCCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/2C58H104N4O24.C52H95N5O23.C42H75N5O23/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-17-45(71)62-37(20-19-36(66)4-2)38(67)32-58(24-21-43(69)60-27-30-82-56-53(79)50(76)47(73)40(34-64)85-56,25-22-44(70)61-28-31-83-57-54(80)51(77)48(74)41(35-65)86-57)23-16-18-42(68)59-26-29-81-55-52(78)49(75)46(72)39(33-63)84-55;1-2-32(61)17-13-11-9-7-5-3-4-6-8-10-12-14-19-37(62)53-20-16-15-18-33(49(74)56-23-26-77-52-48(73)45(70)42(67)36(31-60)80-52)57(27-38(63)54-21-24-75-50-46(71)43(68)40(65)34(29-58)78-50)28-39(64)55-22-25-76-51-47(72)44(69)41(66)35(30-59)79-51;1-2-22(51)7-3-4-9-27(52)43-10-6-5-8-23(39(64)46-13-16-67-42-38(63)35(60)32(57)26(21-50)70-42)47(17-28(53)44-11-14-65-40-36(61)33(58)30(55)24(19-48)68-40)18-29(54)45-12-15-66-41-37(62)34(59)31(56)25(20-49)69-41/h2*37,39-41,46-57,63-65,72-80H,3-35H2,1-2H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71);33-36,40-48,50-52,58-60,65-73H,2-31H2,1H3,(H,53,62)(H,54,63)(H,55,64)(H,56,74);23-26,30-38,40-42,48-50,55-63H,2-21H2,1H3,(H,43,52)(H,44,53)(H,45,54)(H,46,64)/t37-,39+,40+,41+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55?,56?,57?,58?;37-,39+,40+,41+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55?,56-,57?,58?;33-,34+,35+,36+,40+,41+,42+,43-,44-,45-,46-,47-,48-,50-,51-,52-;23-,24+,25+,26+,30+,31+,32+,33-,34-,35-,36-,37-,38-,40-,41-,42-/m0000/s1
InChIKeyYTRTYHIZSHZMIL-KYPVILGNSA-N
XLogP-17.94
TPSA1767.06 Ų
H-Bond Donors64
H-Bond Acceptors96
Rotatable Bonds166
Heavy Atoms322
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004659.37
LogP ≤ 5-17.94
H-Bond Donors ≤ 564
H-Bond Acceptors ≤ 1096

Analyze N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide
CID 162012793
N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide
CID 157445448
(2R)-2-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-8,13-dioxo-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanamide
CID 159847511
benzyl (2R)-3-[[6-[[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]amino]-6-oxohexanoyl]amino]-2-(hexadecanoylamino)propanoate
CID 162450740
(2S)-N'-[(3S)-7-amino-2-oxoheptan-3-yl]-2-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-8-oxo-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]tridecanediamide;methane
CID 161102078
bis((2S)-N'-[(3S)-7-amino-2-oxoheptan-3-yl]-2-[bis[2-oxo-2-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethylamino]ethyl]amino]-8-oxo-N-[2-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethyl]pentadecanediamide);11-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyundecane-3,8-dione;11-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyundecane-3,8-dione
CID 158835676
bis((2S)-N,N'-bis[6-[bis[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]amino]-6-oxohexyl]-2-[[2-[[2-[[6-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-6-oxohexyl]amino]-2-oxoethyl]-[2-oxo-2-(6-oxooctylamino)ethyl]amino]acetyl]amino]pentanediamide);hexadecan-3-one;tetradecan-3-one
CID 159860866
(2S)-6-[[6-[2-[(3S)-7-amino-2-oxoheptan-3-yl]hydrazinyl]-6-oxohexanoyl]amino]-2-[bis[2-oxo-2-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-N-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]hexanamide
CID 158526099
N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide
CID 91160205
(3S)-4-[[1,4-bis[[5-[bis[2-[6-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-6-[6-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexylamino]-6-oxohexyl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxo-3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]butanoic acid
CID 54582312
N-[(2S)-1-oxo-1-(tetradecylamino)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]hexadecanamide
CID 101334752
N-[(2S)-1-oxo-1-(tetradecylamino)-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]hexadecanamide
CID 90664187

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide?
The IUPAC name of N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide (CID 162012792) is N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide.
What is the SMILES notation for N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide?
The canonical SMILES for N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide is CCC(=O)CCCCC(=O)NCCCC[C@@H](C(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCC(=O)CCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)N(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CC)C(=O)CC(CCCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)CC)C(=O)CC(CCCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)(CCC(=O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CCC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide?
The InChIKey is YTRTYHIZSHZMIL-KYPVILGNSA-N. The full InChI is InChI=1S/2C58H104N4O24.C52H95N5O23.C42H75N5O23/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-17-45(71)62-37(20-19-36(66)4-2)38(67)32-58(24-21-43(69)60-27-30-82-56-53(79)50(76)47(73)40(34-64)85-56,25-22-44(70)61-28-31-83-57-54(80)51(77)48(74)41(35-65)86-57)23-16-18-42(68)59-26-29-81-55-52(78)49(75)46(72)39(33-63)84-55;1-2-32(61)17-13-11-9-7-5-3-4-6-8-10-12-14-19-37(62)53-20-16-15-18-33(49(74)56-23-26-77-52-48(73)45(70)42(67)36(31-60)80-52)57(27-38(63)54-21-24-75-50-46(71)43(68)40(65)34(29-58)78-50)28-39(64)55-22-25-76-51-47(72)44(69)41(66)35(30-59)79-51;1-2-22(51)7-3-4-9-27(52)43-10-6-5-8-23(39(64)46-13-16-67-42-38(63)35(60)32(57)26(21-50)70-42)47(17-28(53)44-11-14-65-40-36(61)33(58)30(55)24(19-48)68-40)18-29(54)45-12-15-66-41-37(62)34(59)31(56)25(20-49)69-41/h2*37,39-41,46-57,63-65,72-80H,3-35H2,1-2H3,(H,59,68)(H,60,69)(H,61,70)(H,62,71);33-36,40-48,50-52,58-60,65-73H,2-31H2,1H3,(H,53,62)(H,54,63)(H,55,64)(H,56,74);23-26,30-38,40-42,48-50,55-63H,2-21H2,1H3,(H,43,52)(H,44,53)(H,45,54)(H,46,64)/t37-,39+,40+,41+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55?,56?,57?,58?;37-,39+,40+,41+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55?,56-,57?,58?;33-,34+,35+,36+,40+,41+,42+,43-,44-,45-,46-,47-,48-,50-,51-,52-;23-,24+,25+,26+,30+,31+,32+,33-,34-,35-,36-,37-,38-,40-,41-,42-/m0000/s1.
What are the key properties of N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide?
N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide has a molecular weight of 4659.37 g/mol, XLogP of -17.94, 166 rotatable bonds, 64 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-16-oxooctadecanamide;N-[(5S)-5-[bis[2-oxo-2-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]ethyl]amino]-6-oxo-6-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]hexyl]-6-oxooctanamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N,N'-bis[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide;4-[(3S)-2,6-dioxo-3-(pentadecanoylamino)octyl]-4-[3-oxo-3-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]propyl]-N-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-N'-[2-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octanediamide is sourced from PubChem (CID 162012792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).