2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide

C64H123N11O35 — CID 175636000

About 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide

2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide (PubChem CID 175636000) has the molecular formula C64H123N11O35 and a molecular weight of 1606.73 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide
• PubChem CID: 175636000
• Molecular Formula: C64H123N11O35
• Molecular Weight: 1606.73 g/mol
• Exact Mass: 1605.82
• IUPAC Name: 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide
• SMILES: CN(CC(=O)NCCOCCOCCOCCC(=O)N(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CN(C)C(=O)CN(C)C(=O)C(CCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CN(C)C(=O)CN(C)C(=O)CNC(=O)CCOCCOCCOCCN
• InChI: InChI=1S/C64H123N11O35/c1-69(30-49(89)66-11-16-108-20-24-110-22-18-106-14-9-51(91)75(28-42(82)58(98)62(102)46(86)37-78)29-43(83)59(99)63(103)47(87)38-79)54(94)33-72(4)55(95)34-73(5)64(104)39(7-6-12-74(26-40(80)56(96)60(100)44(84)35-76)27-41(81)57(97)61(101)45(85)36-77)68-50(90)31-70(2)53(93)32-71(3)52(92)25-67-48(88)8-13-105-17-21-109-23-19-107-15-10-65/h39-47,56-63,76-87,96-103H,6-38,65H2,1-5H3,(H,66,89)(H,67,88)(H,68,90)/t39?,40-,41-,42-,43-,44+,45+,46+,47+,56+,57+,58+,59+,60+,61+,62+,63+/m0/s1
• InChIKey: NSTZTNPBXVGRCT-VHOQXZEXSA-N
• XLogP: -17.51
• TPSA: 698.40 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 37
• Rotatable Bonds: 65
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1606.73
LogP ≤ 5	-17.51
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

The IUPAC name of 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide (CID 175636000) is 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide.

What is the SMILES notation for 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

The canonical SMILES for 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide is CN(CC(=O)NCCOCCOCCOCCC(=O)N(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CN(C)C(=O)CN(C)C(=O)C(CCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CN(C)C(=O)CN(C)C(=O)CNC(=O)CCOCCOCCOCCN.

What is the InChIKey of 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

The InChIKey is NSTZTNPBXVGRCT-VHOQXZEXSA-N. The full InChI is InChI=1S/C64H123N11O35/c1-69(30-49(89)66-11-16-108-20-24-110-22-18-106-14-9-51(91)75(28-42(82)58(98)62(102)46(86)37-78)29-43(83)59(99)63(103)47(87)38-79)54(94)33-72(4)55(95)34-73(5)64(104)39(7-6-12-74(26-40(80)56(96)60(100)44(84)35-76)27-41(81)57(97)61(101)45(85)36-77)68-50(90)31-70(2)53(93)32-71(3)52(92)25-67-48(88)8-13-105-17-21-109-23-19-107-15-10-65/h39-47,56-63,76-87,96-103H,6-38,65H2,1-5H3,(H,66,89)(H,67,88)(H,68,90)/t39?,40-,41-,42-,43-,44+,45+,46+,47+,56+,57+,58+,59+,60+,61+,62+,63+/m0/s1.

What are the key properties of 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide has a molecular weight of 1606.73 g/mol, XLogP of -17.51, 65 rotatable bonds, 24 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-N-[2-[[2-[[2-[2-[2-[2-[3-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 175636000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).