tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate

C83H103N15O17 — CID 160877138

IUPACtert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate
SMILESCc1c2cccc1C(=O)NCCN(CCN1CCNC(=O)c3cccc(c3C)C(=O)NCCN(C(=O)CCC(=O)CNC(=O)CCC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CCNC(=O)c3cccc(c3OCc3ccccc3)C(=O)NCC1)CCNC(=O)c1cccc(c1OCc1ccccc1)C(=O)NCCNCCNC2=O
InChIInChI=1S/C83H103N15O17/c1-55-61-20-12-21-62(55)75(105)87-36-42-96(44-38-89-79(109)66-25-14-24-65(72(66)113-53-57-16-8-6-9-17-57)78(108)86-35-33-84-32-34-85-74(61)104)48-49-97-43-37-88-76(106)63-22-13-23-64(56(63)2)77(107)91-40-46-98(47-41-92-81(111)68-27-15-26-67(80(110)90-39-45-97)73(68)114-54-58-18-10-7-11-19-58)71(103)31-29-60(100)50-93-69(101)30-28-59(99)51-94-70(102)52-95-82(112)115-83(3,4)5/h6-27,84H,28-54H2,1-5H3,(H,85,104)(H,86,108)(H,87,105)(H,88,106)(H,89,109)(H,90,110)(H,91,107)(H,92,111)(H,93,101)(H,94,102)(H,95,112)
InChIKeyPWFHSRIPXXHZII-UHFFFAOYSA-N
MW1582.82 g/mol
LogP2.91
Rot. Bonds21

About tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate (PubChem CID 160877138) has the molecular formula C83H103N15O17 and a molecular weight of 1582.82 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate
PubChem CID160877138
Molecular FormulaC83H103N15O17
Molecular Weight1582.82 g/mol
Exact Mass1581.77
IUPAC Nametert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate
SMILESCc1c2cccc1C(=O)NCCN(CCN1CCNC(=O)c3cccc(c3C)C(=O)NCCN(C(=O)CCC(=O)CNC(=O)CCC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CCNC(=O)c3cccc(c3OCc3ccccc3)C(=O)NCC1)CCNC(=O)c1cccc(c1OCc1ccccc1)C(=O)NCCNCCNC2=O
InChIInChI=1S/C83H103N15O17/c1-55-61-20-12-21-62(55)75(105)87-36-42-96(44-38-89-79(109)66-25-14-24-65(72(66)113-53-57-16-8-6-9-17-57)78(108)86-35-33-84-32-34-85-74(61)104)48-49-97-43-37-88-76(106)63-22-13-23-64(56(63)2)77(107)91-40-46-98(47-41-92-81(111)68-27-15-26-67(80(110)90-39-45-97)73(68)114-54-58-18-10-7-11-19-58)71(103)31-29-60(100)50-93-69(101)30-28-59(99)51-94-70(102)52-95-82(112)115-83(3,4)5/h6-27,84H,28-54H2,1-5H3,(H,85,104)(H,86,108)(H,87,105)(H,88,106)(H,89,109)(H,90,110)(H,91,107)(H,92,111)(H,93,101)(H,94,102)(H,95,112)
InChIKeyPWFHSRIPXXHZII-UHFFFAOYSA-N
XLogP2.91
TPSA420.75 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001582.82
LogP ≤ 52.91
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[1-[20-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-3-[29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-20-[2-(2-propoxyethoxy)ethyl]-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]propan-2-yl]oxybutyl]carbamate
CID 122450572
tert-butyl N-[5-[[4-[2-[19-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-12,13,25,26-tetramethyl-2,10,15,23-tetraoxo-3,6,9,16,19,22-hexazatricyclo[22.2.2.211,14]triaconta-1(26),11,13,24,27,29-hexaen-6-yl]ethylcarbamoyl]-2,3-bis(phenylmethoxy)benzoyl]amino]pentyl]carbamate
CID 129302787
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434
benzyl 4-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoyl]amino]butanoate
CID 167709782
tert-butyl N-[2-oxo-2-[[1-(3-phenylpropanoyl)piperidin-4-yl]methylamino]ethyl]carbamate
CID 108916489
tert-butyl N-[2-(12,13,25,26-tetrabutoxy-2,10,15,23-tetraoxo-19-propyl-3,6,9,16,19,22-hexazatricyclo[22.2.2.211,14]triaconta-1(26),11,13,24,27,29-hexaen-6-yl)ethyl]carbamate
CID 118137115
5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
CID 160877136
tert-butyl N-[6-oxo-6-[4-(2-phenylethyl)piperazin-1-yl]hexyl]carbamate
CID 143444355
benzyl 4-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-1,4,7-triazonane-1-carboxylate
CID 122461734
benzyl 3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 175453126
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate (CID 160877138) is tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate is Cc1c2cccc1C(=O)NCCN(CCN1CCNC(=O)c3cccc(c3C)C(=O)NCCN(C(=O)CCC(=O)CNC(=O)CCC(=O)CNC(=O)CNC(=O)OC(C)(C)C)CCNC(=O)c3cccc(c3OCc3ccccc3)C(=O)NCC1)CCNC(=O)c1cccc(c1OCc1ccccc1)C(=O)NCCNCCNC2=O.
What is the InChIKey of tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate?
The InChIKey is PWFHSRIPXXHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H103N15O17/c1-55-61-20-12-21-62(55)75(105)87-36-42-96(44-38-89-79(109)66-25-14-24-65(72(66)113-53-57-16-8-6-9-17-57)78(108)86-35-33-84-32-34-85-74(61)104)48-49-97-43-37-88-76(106)63-22-13-23-64(56(63)2)77(107)91-40-46-98(47-41-92-81(111)68-27-15-26-67(80(110)90-39-45-97)73(68)114-54-58-18-10-7-11-19-58)71(103)31-29-60(100)50-93-69(101)30-28-59(99)51-94-70(102)52-95-82(112)115-83(3,4)5/h6-27,84H,28-54H2,1-5H3,(H,85,104)(H,86,108)(H,87,105)(H,88,106)(H,89,109)(H,90,110)(H,91,107)(H,92,111)(H,93,101)(H,94,102)(H,95,112).
What are the key properties of tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate has a molecular weight of 1582.82 g/mol, XLogP of 2.91, 21 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-[[5-[29-methyl-20-[2-(29-methyl-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl)ethyl]-2,10,16,24-tetraoxo-30-phenylmethoxy-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaen-6-yl]-2,5-dioxopentyl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 160877138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).