N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide

C61H80N12O8 — CID 58018123

IUPACN-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide
SMILESC#CCN(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CNCCCN=[N+]=[N-])[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1)[C@@H](C)c1ccccc1
InChIInChI=1S/C61H80N12O8/c1-10-34-67(39-56(77)68(38-53(62)74)44(2)48-24-15-11-16-25-48)55(76)40-70(46(4)50-28-19-13-20-29-50)58(79)43-72(52-35-60(6,7)73(81)61(8,9)36-52)59(80)42-71(47(5)51-30-21-14-22-31-51)57(78)41-69(45(3)49-26-17-12-18-27-49)54(75)37-64-32-23-33-65-66-63/h1,11-22,24-31,44-47,52,64,81H,23,32-43H2,2-9H3,(H2,62,74)/t44-,45-,46-,47-/m0/s1
InChIKeyPPKXYAPTNKBMSM-GBGBWPTHSA-N
MW1109.39 g/mol
LogP6.82
Rot. Bonds28

About N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide

N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 58018123) has the molecular formula C61H80N12O8 and a molecular weight of 1109.39 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID58018123
Molecular FormulaC61H80N12O8
Molecular Weight1109.39 g/mol
Exact Mass1108.62
IUPAC NameN-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide
SMILESC#CCN(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CNCCCN=[N+]=[N-])[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1)[C@@H](C)c1ccccc1
InChIInChI=1S/C61H80N12O8/c1-10-34-67(39-56(77)68(38-53(62)74)44(2)48-24-15-11-16-25-48)55(76)40-70(46(4)50-28-19-13-20-29-50)58(79)43-72(52-35-60(6,7)73(81)61(8,9)36-52)59(80)42-71(47(5)51-30-21-14-22-31-51)57(78)41-69(45(3)49-26-17-12-18-27-49)54(75)37-64-32-23-33-65-66-63/h1,11-22,24-31,44-47,52,64,81H,23,32-43H2,2-9H3,(H2,62,74)/t44-,45-,46-,47-/m0/s1
InChIKeyPPKXYAPTNKBMSM-GBGBWPTHSA-N
XLogP6.82
TPSA249.21 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.39
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide (CID 58018123) is N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide is C#CCN(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN(C(=O)CNCCCN=[N+]=[N-])[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is PPKXYAPTNKBMSM-GBGBWPTHSA-N. The full InChI is InChI=1S/C61H80N12O8/c1-10-34-67(39-56(77)68(38-53(62)74)44(2)48-24-15-11-16-25-48)55(76)40-70(46(4)50-28-19-13-20-29-50)58(79)43-72(52-35-60(6,7)73(81)61(8,9)36-52)59(80)42-71(47(5)51-30-21-14-22-31-51)57(78)41-69(45(3)49-26-17-12-18-27-49)54(75)37-64-32-23-33-65-66-63/h1,11-22,24-31,44-47,52,64,81H,23,32-43H2,2-9H3,(H2,62,74)/t44-,45-,46-,47-/m0/s1.
What are the key properties of N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide?
N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 1109.39 g/mol, XLogP of 6.82, 28 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-prop-2-ynylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-(3-azidopropylamino)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 58018123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).