N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide

C125H213N21O52 — CID 163980994

About N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide

N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide (PubChem CID 163980994) has the molecular formula C125H213N21O52 and a molecular weight of 2842.17 g/mol. Its IUPAC name is N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide.

Molecular Properties

• Compound Name: N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide
• PubChem CID: 163980994
• Molecular Formula: C125H213N21O52
• Molecular Weight: 2842.17 g/mol
• Exact Mass: 2840.47
• IUPAC Name: N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide
• SMILES: CNC(CC(=O)NC(CC(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)CCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.CNC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)NC(CC(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)CCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O
• InChI: InChI=1S/C67H111N11O27.C58H102N10O25/c1-37(82)74-53-59(94)56(91)46(34-79)103-65(53)100-25-15-9-5-6-12-18-42(86)31-72-62(97)44(29-49(87)71-32-51(89)69-23-13-7-10-16-26-101-66-54(75-38(2)83)60(95)57(92)47(35-80)104-66)77-50(88)30-45(78-64(99)43(68-4)28-40-19-21-41(85)22-20-40)63(98)73-33-52(90)70-24-14-8-11-17-27-102-67-55(76-39(3)84)61(96)58(93)48(36-81)105-67;1-32(72)65-45-51(83)48(80)38(29-69)91-56(45)88-21-15-9-5-6-12-18-35(75)26-63-55(87)37(25-41(76)62-27-43(78)60-19-13-7-10-16-22-89-57-46(66-33(2)73)52(84)49(81)39(30-70)92-57)68-42(77)24-36(59-4)54(86)64-28-44(79)61-20-14-8-11-17-23-90-58-47(67-34(3)74)53(85)50(82)40(31-71)93-58/h19-22,43-48,53-61,65-68,79-81,85,91-96H,5-18,23-36H2,1-4H3,(H,69,89)(H,70,90)(H,71,87)(H,72,97)(H,73,98)(H,74,82)(H,75,83)(H,76,84)(H,77,88)(H,78,99);36-40,45-53,56-59,69-71,80-85H,5-31H2,1-4H3,(H,60,78)(H,61,79)(H,62,76)(H,63,87)(H,64,86)(H,65,72)(H,66,73)(H,67,74)(H,68,77)/t43?,44?,45?,46?,47?,48?,53?,54?,55?,56-,57-,58-,59+,60+,61+,65+,66+,67+;36?,37?,38?,39?,40?,45?,46?,47?,48-,49-,50-,51+,52+,53+,56+,57+,58+/m00/s1
• InChIKey: SYJHFEGLXJKLSY-OJWGVNSBSA-N
• XLogP: -14.90
• TPSA: 1106.23 Ų
• H-Bond Donors: 40
• H-Bond Acceptors: 54
• Rotatable Bonds: 94
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2842.17
LogP ≤ 5	-14.90
H-Bond Donors ≤ 5	40
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide?

The IUPAC name of N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide (CID 163980994) is N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide.

What is the SMILES notation for N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide?

The canonical SMILES for N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide is CNC(CC(=O)NC(CC(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)CCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.CNC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)NC(CC(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)CCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O)C(=O)NCC(=O)NCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.

What is the InChIKey of N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide?

The InChIKey is SYJHFEGLXJKLSY-OJWGVNSBSA-N. The full InChI is InChI=1S/C67H111N11O27.C58H102N10O25/c1-37(82)74-53-59(94)56(91)46(34-79)103-65(53)100-25-15-9-5-6-12-18-42(86)31-72-62(97)44(29-49(87)71-32-51(89)69-23-13-7-10-16-26-101-66-54(75-38(2)83)60(95)57(92)47(35-80)104-66)77-50(88)30-45(78-64(99)43(68-4)28-40-19-21-41(85)22-20-40)63(98)73-33-52(90)70-24-14-8-11-17-27-102-67-55(76-39(3)84)61(96)58(93)48(36-81)105-67;1-32(72)65-45-51(83)48(80)38(29-69)91-56(45)88-21-15-9-5-6-12-18-35(75)26-63-55(87)37(25-41(76)62-27-43(78)60-19-13-7-10-16-22-89-57-46(66-33(2)73)52(84)49(81)39(30-70)92-57)68-42(77)24-36(59-4)54(86)64-28-44(79)61-20-14-8-11-17-23-90-58-47(67-34(3)74)53(85)50(82)40(31-71)93-58/h19-22,43-48,53-61,65-68,79-81,85,91-96H,5-18,23-36H2,1-4H3,(H,69,89)(H,70,90)(H,71,87)(H,72,97)(H,73,98)(H,74,82)(H,75,83)(H,76,84)(H,77,88)(H,78,99);36-40,45-53,56-59,69-71,80-85H,5-31H2,1-4H3,(H,60,78)(H,61,79)(H,62,76)(H,63,87)(H,64,86)(H,65,72)(H,66,73)(H,67,74)(H,68,77)/t43?,44?,45?,46?,47?,48?,53?,54?,55?,56-,57-,58-,59+,60+,61+,65+,66+,67+;36?,37?,38?,39?,40?,45?,46?,47?,48-,49-,50-,51+,52+,53+,56+,57+,58+/m00/s1.

What are the key properties of N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide?

N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide has a molecular weight of 2842.17 g/mol, XLogP of -14.90, 94 rotatable bonds, 40 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-N'-[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-1-[[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]amino]-1,4-dioxobutan-2-yl]-2-(methylamino)butanediamide;N'-[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]-2-[[4-[[2-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexylamino]-2-oxoethyl]amino]-3-[[3-(4-hydroxyphenyl)-2-(methylamino)propanoyl]amino]-4-oxobutanoyl]amino]-N-[9-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxononyl]butanediamide is sourced from PubChem (CID 163980994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).