(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide

C35H64N6O5 — CID 10461912

IUPAC(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(N)=O)C(C)C
InChIInChI=1S/C35H64N6O5/c1-21(2)17-26(36)32(43)39-28(19-24-13-9-7-10-14-24)33(44)40-29(20-25-15-11-8-12-16-25)34(45)41-30(23(5)6)35(46)38-27(31(37)42)18-22(3)4/h21-30H,7-20,36H2,1-6H3,(H2,37,42)(H,38,46)(H,39,43)(H,40,44)(H,41,45)/t26-,27-,28-,29-,30-/m1/s1
InChIKeyUQRWRIWFXIOKID-XZTOTZIXSA-N
MW648.93 g/mol
LogP3.43
Rot. Bonds18

About (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide

(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide (PubChem CID 10461912) has the molecular formula C35H64N6O5 and a molecular weight of 648.93 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide
PubChem CID10461912
Molecular FormulaC35H64N6O5
Molecular Weight648.93 g/mol
Exact Mass648.49
IUPAC Name(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(N)=O)C(C)C
InChIInChI=1S/C35H64N6O5/c1-21(2)17-26(36)32(43)39-28(19-24-13-9-7-10-14-24)33(44)40-29(20-25-15-11-8-12-16-25)34(45)41-30(23(5)6)35(46)38-27(31(37)42)18-22(3)4/h21-30H,7-20,36H2,1-6H3,(H2,37,42)(H,38,46)(H,39,43)(H,40,44)(H,41,45)/t26-,27-,28-,29-,30-/m1/s1
InChIKeyUQRWRIWFXIOKID-XZTOTZIXSA-N
XLogP3.43
TPSA185.51 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.93
LogP ≤ 53.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 512533
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
(2R)-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-4-methyl-2-(propanoylamino)pentanamide
CID 168915468
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18298736
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18302149
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 175768432
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 18298729
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-cyclohexylpropanoyl]amino]-6-aminohexanamide
CID 175961701
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 18246497
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 18302015
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxybutyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 512534
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
CID 18298685

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide (CID 10461912) is (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(N)=O)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide?
The InChIKey is UQRWRIWFXIOKID-XZTOTZIXSA-N. The full InChI is InChI=1S/C35H64N6O5/c1-21(2)17-26(36)32(43)39-28(19-24-13-9-7-10-14-24)33(44)40-29(20-25-15-11-8-12-16-25)34(45)41-30(23(5)6)35(46)38-27(31(37)42)18-22(3)4/h21-30H,7-20,36H2,1-6H3,(H2,37,42)(H,38,46)(H,39,43)(H,40,44)(H,41,45)/t26-,27-,28-,29-,30-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide?
(2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide has a molecular weight of 648.93 g/mol, XLogP of 3.43, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 10461912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).