(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid

C41H69N5O6 — CID 11852020

IUPAC(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid
SMILESCN(C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C41H69N5O6/c1-46(36(41(51)52)31-25-15-6-16-26-31)40(50)35(30-23-13-5-14-24-30)45-39(49)34(29-21-11-4-12-22-29)44-38(48)33(28-19-9-3-10-20-28)43-37(47)32(42)27-17-7-2-8-18-27/h27-36H,2-26,42H2,1H3,(H,43,47)(H,44,48)(H,45,49)(H,51,52)/t32-,33-,34-,35-,36-/m1/s1
InChIKeyWGGHPGTYQSUUMK-JZPVOVDPSA-N
MW728.03 g/mol
LogP5.58
Rot. Bonds14

About (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid

(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid (PubChem CID 11852020) has the molecular formula C41H69N5O6 and a molecular weight of 728.03 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid
PubChem CID11852020
Molecular FormulaC41H69N5O6
Molecular Weight728.03 g/mol
Exact Mass727.52
IUPAC Name(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid
SMILESCN(C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[C@@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C41H69N5O6/c1-46(36(41(51)52)31-25-15-6-16-26-31)40(50)35(30-23-13-5-14-24-30)45-39(49)34(29-21-11-4-12-22-29)44-38(48)33(28-19-9-3-10-20-28)43-37(47)32(42)27-17-7-2-8-18-27/h27-36H,2-26,42H2,1H3,(H,43,47)(H,44,48)(H,45,49)(H,51,52)/t32-,33-,34-,35-,36-/m1/s1
InChIKeyWGGHPGTYQSUUMK-JZPVOVDPSA-N
XLogP5.58
TPSA170.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.03
LogP ≤ 55.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
CID 11852614
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
CID 11852301
(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
CID 93297325
2-amino-2-cyclohexyl-N-methylacetamide
CID 66931955
(2S)-2-amino-N-cyclobutyl-2-cyclohexylacetamide
CID 70337031
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
2-cyclobutyl-2-[cyclopropyl(methyl)amino]acetic acid
CID 116857513
2-amino-2-cyclohexyl-N-methylacetamide;hydrochloride
CID 66985507
(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
CID 68552101
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
1-amino-1-cycloheptylpropan-2-one
CID 54549167

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid?
The IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid (CID 11852020) is (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid is CN(C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[C@@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid?
The InChIKey is WGGHPGTYQSUUMK-JZPVOVDPSA-N. The full InChI is InChI=1S/C41H69N5O6/c1-46(36(41(51)52)31-25-15-6-16-26-31)40(50)35(30-23-13-5-14-24-30)45-39(49)34(29-21-11-4-12-22-29)44-38(48)33(28-19-9-3-10-20-28)43-37(47)32(42)27-17-7-2-8-18-27/h27-36H,2-26,42H2,1H3,(H,43,47)(H,44,48)(H,45,49)(H,51,52)/t32-,33-,34-,35-,36-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid?
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid has a molecular weight of 728.03 g/mol, XLogP of 5.58, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid is sourced from PubChem (CID 11852020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).