trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide

C42H69N7O6 — CID 102212864

IUPACtrans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C42H69N7O6/c43-31-19-7-1-13-25(31)38(51)46-33-21-9-3-15-27(33)40(53)48-35-23-11-5-17-29(35)42(55)49-36-24-12-6-18-30(36)41(54)47-34-22-10-4-16-28(34)39(52)45-32-20-8-2-14-26(32)37(44)50/h25-36H,1-24,43H2,(H2,44,50)(H,45,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKeyQXJPAEHZTABAOX-AMSSTSQKSA-N
MW768.06 g/mol
LogP3.36
Rot. Bonds11

About trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide

trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide (PubChem CID 102212864) has the molecular formula C42H69N7O6 and a molecular weight of 768.06 g/mol. Its IUPAC name is trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
PubChem CID102212864
Molecular FormulaC42H69N7O6
Molecular Weight768.06 g/mol
Exact Mass767.53
IUPAC Nametrans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C42H69N7O6/c43-31-19-7-1-13-25(31)38(51)46-33-21-9-3-15-27(33)40(53)48-35-23-11-5-17-29(35)42(55)49-36-24-12-6-18-30(36)41(54)47-34-22-10-4-16-28(34)39(52)45-32-20-8-2-14-26(32)37(44)50/h25-36H,1-24,43H2,(H2,44,50)(H,45,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKeyQXJPAEHZTABAOX-AMSSTSQKSA-N
XLogP3.36
TPSA214.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.06
LogP ≤ 53.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
2-amino-N-[2-(hydroxymethyl)cyclopentyl]cyclohexane-1-carboxamide
CID 103811440
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cycloheptane-1-carboxamide
CID 107221615
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
CID 95970217
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
(3R,4S)-4-acetamido-N-[(1R,2R)-2-[[(3S,4R)-4-[[(1R,2R)-2-[[(3S,4R)-4-[[(1R,2R)-2-[[(3S,4R)-4-[[(1R,2R)-2-carbamoylcyclopentyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]cyclopentyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]cyclopentyl]carbamoyl]pyrrolidin-3-yl]carbamoyl]cyclopentyl]pyrrolidine-3-carboxamide
CID 101054004
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
2-amino-N-(2-propylcyclopropyl)cycloheptane-1-carboxamide
CID 113267243
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
2-amino-N-(2,2,3,3-tetramethylcyclopropyl)cyclohexane-1-carboxamide
CID 79362862
N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119802178

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide (CID 102212864) is trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide is NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide?
The InChIKey is QXJPAEHZTABAOX-AMSSTSQKSA-N. The full InChI is InChI=1S/C42H69N7O6/c43-31-19-7-1-13-25(31)38(51)46-33-21-9-3-15-27(33)40(53)48-35-23-11-5-17-29(35)42(55)49-36-24-12-6-18-30(36)41(54)47-34-22-10-4-16-28(34)39(52)45-32-20-8-2-14-26(32)37(44)50/h25-36H,1-24,43H2,(H2,44,50)(H,45,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1.
What are the key properties of trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide?
trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 768.06 g/mol, XLogP of 3.36, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-amino-N-[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-[[(1S,2S)-2-carbamoylcyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 102212864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).