2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

C153H240N36O48 — CID 122392990

IUPAC2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CNCCCn1cc(-c2ccc(C(c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)(c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)cc2)nn1
InChIInChI=1S/C153H240N36O48/c1-218-69-49-166(97-133(194)170(53-73-222-5)101-137(198)174(57-77-226-9)105-141(202)178(61-81-230-13)109-145(206)182(65-85-234-17)113-149(210)211)129(190)89-154-41-21-45-186-93-125(158-162-186)117-25-33-121(34-26-117)153(122-35-27-118(28-36-122)126-94-187(163-159-126)46-22-42-155-90-130(191)167(50-70-219-2)98-134(195)171(54-74-223-6)102-138(199)175(58-78-227-10)106-142(203)179(62-82-231-14)110-146(207)183(66-86-235-18)114-150(212)213,123-37-29-119(30-38-123)127-95-188(164-160-127)47-23-43-156-91-131(192)168(51-71-220-3)99-135(196)172(55-75-224-7)103-139(200)176(59-79-228-11)107-143(204)180(63-83-232-15)111-147(208)184(67-87-236-19)115-151(214)215)124-39-31-120(32-40-124)128-96-189(165-161-128)48-24-44-157-92-132(193)169(52-72-221-4)100-136(197)173(56-76-225-8)104-140(201)177(60-80-229-12)108-144(205)181(64-84-233-16)112-148(209)185(68-88-237-20)116-152(216)217/h25-40,93-96,154-157H,21-24,41-92,97-116H2,1-20H3,(H,210,211)(H,212,213)(H,214,215)(H,216,217)
InChIKeyGSXUMNVWFVNJRW-UHFFFAOYSA-N
MW3351.81 g/mol
LogP-7.14
Rot. Bonds132

About 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid

2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 122392990) has the molecular formula C153H240N36O48 and a molecular weight of 3351.81 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID122392990
Molecular FormulaC153H240N36O48
Molecular Weight3351.81 g/mol
Exact Mass3349.74
IUPAC Name2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CNCCCn1cc(-c2ccc(C(c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)(c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)cc2)nn1
InChIInChI=1S/C153H240N36O48/c1-218-69-49-166(97-133(194)170(53-73-222-5)101-137(198)174(57-77-226-9)105-141(202)178(61-81-230-13)109-145(206)182(65-85-234-17)113-149(210)211)129(190)89-154-41-21-45-186-93-125(158-162-186)117-25-33-121(34-26-117)153(122-35-27-118(28-36-122)126-94-187(163-159-126)46-22-42-155-90-130(191)167(50-70-219-2)98-134(195)171(54-74-223-6)102-138(199)175(58-78-227-10)106-142(203)179(62-82-231-14)110-146(207)183(66-86-235-18)114-150(212)213,123-37-29-119(30-38-123)127-95-188(164-160-127)47-23-43-156-91-131(192)168(51-71-220-3)99-135(196)172(55-75-224-7)103-139(200)176(59-79-228-11)107-143(204)180(63-83-232-15)111-147(208)184(67-87-236-19)115-151(214)215)124-39-31-120(32-40-124)128-96-189(165-161-128)48-24-44-157-92-132(193)169(52-72-221-4)100-136(197)173(56-76-225-8)104-140(201)177(60-80-229-12)108-144(205)181(64-84-233-16)112-148(209)185(68-88-237-20)116-152(216)217/h25-40,93-96,154-157H,21-24,41-92,97-116H2,1-20H3,(H,210,211)(H,212,213)(H,214,215)(H,216,217)
InChIKeyGSXUMNVWFVNJRW-UHFFFAOYSA-N
XLogP-7.14
TPSA910.96 Ų
H-Bond Donors8
H-Bond Acceptors60
Rotatable Bonds132
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003351.81
LogP ≤ 5-7.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 122392990) is 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CNCCCn1cc(-c2ccc(C(c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)(c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)c3ccc(-c4cn(CCCNCC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)N(CCOC)CC(=O)O)nn4)cc3)cc2)nn1.
What is the InChIKey of 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is GSXUMNVWFVNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C153H240N36O48/c1-218-69-49-166(97-133(194)170(53-73-222-5)101-137(198)174(57-77-226-9)105-141(202)178(61-81-230-13)109-145(206)182(65-85-234-17)113-149(210)211)129(190)89-154-41-21-45-186-93-125(158-162-186)117-25-33-121(34-26-117)153(122-35-27-118(28-36-122)126-94-187(163-159-126)46-22-42-155-90-130(191)167(50-70-219-2)98-134(195)171(54-74-223-6)102-138(199)175(58-78-227-10)106-142(203)179(62-82-231-14)110-146(207)183(66-86-235-18)114-150(212)213,123-37-29-119(30-38-123)127-95-188(164-160-127)47-23-43-156-91-131(192)168(51-71-220-3)99-135(196)172(55-75-224-7)103-139(200)176(59-79-228-11)107-143(204)180(63-83-232-15)111-147(208)184(67-87-236-19)115-151(214)215)124-39-31-120(32-40-124)128-96-189(165-161-128)48-24-44-157-92-132(193)169(52-72-221-4)100-136(197)173(56-76-225-8)104-140(201)177(60-80-229-12)108-144(205)181(64-84-233-16)112-148(209)185(68-88-237-20)116-152(216)217/h25-40,93-96,154-157H,21-24,41-92,97-116H2,1-20H3,(H,210,211)(H,212,213)(H,214,215)(H,216,217).
What are the key properties of 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 3351.81 g/mol, XLogP of -7.14, 132 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 122392990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).