(2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide

C90H138N32O35 — CID 154955511

About (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide

(2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide (PubChem CID 154955511) has the molecular formula C90H138N32O35 and a molecular weight of 2228.28 g/mol. Its IUPAC name is (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide.

Molecular Properties

• Compound Name: (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide
• PubChem CID: 154955511
• Molecular Formula: C90H138N32O35
• Molecular Weight: 2228.28 g/mol
• Exact Mass: 2227.00
• IUPAC Name: (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide
• SMILES: CCOCC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](CCCCN)C(N)=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21
• InChI: InChI=1S/C90H138N32O35/c1-4-147-51-68(133)103-61(50-157-28-23-152-18-13-127)35-116(72(137)44-121-53-97-75-79(121)106-87(94)109-84(75)143)39-66(131)100-58(47-154-25-20-149-15-10-124)32-114(70(135)42-119-30-56(3)82(141)112-90(119)146)36-63(128)99-57(46-153-24-19-148-14-9-123)31-113(69(134)41-118-29-55(2)81(140)111-89(118)145)37-64(129)101-59(48-155-26-21-150-16-11-125)33-115(71(136)43-120-52-96-74-78(120)105-86(93)108-83(74)142)38-65(130)102-60(49-156-27-22-151-17-12-126)34-117(40-67(132)104-62(77(92)139)7-5-6-8-91)73(138)45-122-54-98-76-80(122)107-88(95)110-85(76)144/h29-30,52-54,57-62,123-127H,4-28,31-51,91H2,1-3H3,(H2,92,139)(H,99,128)(H,100,131)(H,101,129)(H,102,130)(H,103,133)(H,104,132)(H,111,140,145)(H,112,141,146)(H3,93,105,108,142)(H3,94,106,109,143)(H3,95,107,110,144)/t57-,58-,59-,60-,61-,62+/m0/s1
• InChIKey: LXCVEGWWHMVJOO-VXLXWYFHSA-N
• XLogP: -15.32
• TPSA: 926.43 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 50
• Rotatable Bonds: 79
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2228.28
LogP ≤ 5	-15.32
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide?

The IUPAC name of (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide (CID 154955511) is (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide.

What is the SMILES notation for (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide?

The canonical SMILES for (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide is CCOCC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](COCCOCCO)CN(CC(=O)N[C@H](CCCCN)C(N)=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21.

What is the InChIKey of (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide?

The InChIKey is LXCVEGWWHMVJOO-VXLXWYFHSA-N. The full InChI is InChI=1S/C90H138N32O35/c1-4-147-51-68(133)103-61(50-157-28-23-152-18-13-127)35-116(72(137)44-121-53-97-75-79(121)106-87(94)109-84(75)143)39-66(131)100-58(47-154-25-20-149-15-10-124)32-114(70(135)42-119-30-56(3)82(141)112-90(119)146)36-63(128)99-57(46-153-24-19-148-14-9-123)31-113(69(134)41-118-29-55(2)81(140)111-89(118)145)37-64(129)101-59(48-155-26-21-150-16-11-125)33-115(71(136)43-120-52-96-74-78(120)105-86(93)108-83(74)142)38-65(130)102-60(49-156-27-22-151-17-12-126)34-117(40-67(132)104-62(77(92)139)7-5-6-8-91)73(138)45-122-54-98-76-80(122)107-88(95)110-85(76)144/h29-30,52-54,57-62,123-127H,4-28,31-51,91H2,1-3H3,(H2,92,139)(H,99,128)(H,100,131)(H,101,129)(H,102,130)(H,103,133)(H,104,132)(H,111,140,145)(H,112,141,146)(H3,93,105,108,142)(H3,94,106,109,143)(H3,95,107,110,144)/t57-,58-,59-,60-,61-,62+/m0/s1.

What are the key properties of (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide?

(2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide has a molecular weight of 2228.28 g/mol, XLogP of -15.32, 79 rotatable bonds, 21 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-amino-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]-[(2S)-2-[(2-ethoxyacetyl)amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]-3-[2-(2-hydroxyethoxy)ethoxy]propyl]amino]acetyl]amino]hexanamide is sourced from PubChem (CID 154955511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).