2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate

C107H196N18O41 — CID 157401083

IUPAC2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCCC(=O)CCC(CCC(=O)CCCOCCOCCNC(=O)OC(C)(C)C)(CCC(=O)CCCOCCOCCNC(=O)OC(C)(C)C)NC(=O)OCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCC(N)(CCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C.[N-]=[N+]=NCCOCCOCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C53H97N7O19.C43H83N7O15.C11H16N4O7/c1-50(2,3)77-46(64)55-22-29-71-36-33-68-26-10-13-43(61)16-19-53(59-49(67)76-42-41-75-40-39-74-32-25-58-60-54,20-17-44(62)14-11-27-69-34-37-72-30-23-56-47(65)78-51(4,5)6)21-18-45(63)15-12-28-70-35-38-73-31-24-57-48(66)79-52(7,8)9;1-40(2,3)63-37(54)48-19-25-60-31-28-57-22-16-45-34(51)10-13-43(44,14-11-35(52)46-17-23-58-29-32-61-26-20-49-38(55)64-41(4,5)6)15-12-36(53)47-18-24-59-30-33-62-27-21-50-39(56)65-42(7,8)9;12-14-13-3-4-19-5-6-20-7-8-21-11(18)22-15-9(16)1-2-10(15)17/h10-42H2,1-9H3,(H,55,64)(H,56,65)(H,57,66)(H,59,67);10-33,44H2,1-9H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56);1-8H2
InChIKeyBNECEERJDTYADA-UHFFFAOYSA-N
MW2390.83 g/mol
LogP9.45
Rot. Bonds95

About 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate

2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate (PubChem CID 157401083) has the molecular formula C107H196N18O41 and a molecular weight of 2390.83 g/mol. Its IUPAC name is 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate
PubChem CID157401083
Molecular FormulaC107H196N18O41
Molecular Weight2390.83 g/mol
Exact Mass2389.38
IUPAC Name2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCCC(=O)CCC(CCC(=O)CCCOCCOCCNC(=O)OC(C)(C)C)(CCC(=O)CCCOCCOCCNC(=O)OC(C)(C)C)NC(=O)OCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCC(N)(CCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C.[N-]=[N+]=NCCOCCOCCOC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C53H97N7O19.C43H83N7O15.C11H16N4O7/c1-50(2,3)77-46(64)55-22-29-71-36-33-68-26-10-13-43(61)16-19-53(59-49(67)76-42-41-75-40-39-74-32-25-58-60-54,20-17-44(62)14-11-27-69-34-37-72-30-23-56-47(65)78-51(4,5)6)21-18-45(63)15-12-28-70-35-38-73-31-24-57-48(66)79-52(7,8)9;1-40(2,3)63-37(54)48-19-25-60-31-28-57-22-16-45-34(51)10-13-43(44,14-11-35(52)46-17-23-58-29-32-61-26-20-49-38(55)64-41(4,5)6)15-12-36(53)47-18-24-59-30-33-62-27-21-50-39(56)65-42(7,8)9;12-14-13-3-4-19-5-6-20-7-8-21-11(18)22-15-9(16)1-2-10(15)17/h10-42H2,1-9H3,(H,55,64)(H,56,65)(H,57,66)(H,59,67);10-33,44H2,1-9H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56);1-8H2
InChIKeyBNECEERJDTYADA-UHFFFAOYSA-N
XLogP9.45
TPSA750.95 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds95
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002390.83
LogP ≤ 59.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate with MolForge

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Related Compounds

4-amino-N,N'-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170098519
tert-butyl N-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]-2-[[3-[2-(2-azidoethoxy)ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 164702959
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-[[1,3-bis[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 172948582
(2,5-dioxopyrrolidin-1-yl) 4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoate
CID 58473285
tert-butyl N-[8-[2-(2-azidoethoxy)ethoxy]-1-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1,5-dioxooctan-3-yl]carbamate
CID 165055007
(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 51340978
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[2-[[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 157159220
tert-butyl N-[2-[6-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propyl]-1,3-benzodioxol-5-yl]ethyl]carbamate
CID 57379270
tert-butyl 20-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoate
CID 167312669
(2,5-dioxopyrrolidin-1-yl) 12-[3-[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]-10-oxododecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-[2-[[3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-3-[6-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]-3-oxohexoxy]-2-[8-(2,2,2-trichloroethoxycarbonylamino)octanoylamino]propoxy]-4-oxohexoxy]ethoxy]ethoxy]propanoate
CID 158491701
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154803611
[2,7-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoyl]-9H-fluoren-9-yl]methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 172844336

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate?
The IUPAC name of 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate (CID 157401083) is 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCCC(=O)CCC(CCC(=O)CCCOCCOCCNC(=O)OC(C)(C)C)(CCC(=O)CCCOCCOCCNC(=O)OC(C)(C)C)NC(=O)OCCOCCOCCN=[N+]=[N-].CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCC(N)(CCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)CCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C.[N-]=[N+]=NCCOCCOCCOC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate?
The InChIKey is BNECEERJDTYADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H97N7O19.C43H83N7O15.C11H16N4O7/c1-50(2,3)77-46(64)55-22-29-71-36-33-68-26-10-13-43(61)16-19-53(59-49(67)76-42-41-75-40-39-74-32-25-58-60-54,20-17-44(62)14-11-27-69-34-37-72-30-23-56-47(65)78-51(4,5)6)21-18-45(63)15-12-28-70-35-38-73-31-24-57-48(66)79-52(7,8)9;1-40(2,3)63-37(54)48-19-25-60-31-28-57-22-16-45-34(51)10-13-43(44,14-11-35(52)46-17-23-58-29-32-61-26-20-49-38(55)64-41(4,5)6)15-12-36(53)47-18-24-59-30-33-62-27-21-50-39(56)65-42(7,8)9;12-14-13-3-4-19-5-6-20-7-8-21-11(18)22-15-9(16)1-2-10(15)17/h10-42H2,1-9H3,(H,55,64)(H,56,65)(H,57,66)(H,59,67);10-33,44H2,1-9H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)(H,49,55)(H,50,56);1-8H2.
What are the key properties of 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate?
2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate has a molecular weight of 2390.83 g/mol, XLogP of 9.45, 95 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azidoethoxy)ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate;tert-butyl N-[2-[2-[2-[[4-amino-7-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-4-[3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethoxy]ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[7-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]-13-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-7-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-3-oxohexyl]-4,10-dioxotridecoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 157401083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).