(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid

C33H58N4O5 — CID 11852614

IUPAC(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCCCC1)N(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H58N4O5/c1-22(2)21-26(33(41)42)37(5)32(40)28(24-17-11-7-12-18-24)35-30(38)27(23-15-9-6-10-16-23)34-31(39)29(36(3)4)25-19-13-8-14-20-25/h22-29H,6-21H2,1-5H3,(H,34,39)(H,35,38)(H,41,42)/t26-,27-,28-,29-/m1/s1
InChIKeyHPHLKPUXNBCAAD-CXDXLJMYSA-N
MW590.85 g/mol
LogP4.58
Rot. Bonds13

About (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid

(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid (PubChem CID 11852614) has the molecular formula C33H58N4O5 and a molecular weight of 590.85 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
PubChem CID11852614
Molecular FormulaC33H58N4O5
Molecular Weight590.85 g/mol
Exact Mass590.44
IUPAC Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCCCC1)N(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H58N4O5/c1-22(2)21-26(33(41)42)37(5)32(40)28(24-17-11-7-12-18-24)35-30(38)27(23-15-9-6-10-16-23)34-31(39)29(36(3)4)25-19-13-8-14-20-25/h22-29H,6-21H2,1-5H3,(H,34,39)(H,35,38)(H,41,42)/t26-,27-,28-,29-/m1/s1
InChIKeyHPHLKPUXNBCAAD-CXDXLJMYSA-N
XLogP4.58
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.85
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The IUPAC name of (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) is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is CC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCCCC1)N(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The InChIKey is HPHLKPUXNBCAAD-CXDXLJMYSA-N. The full InChI is InChI=1S/C33H58N4O5/c1-22(2)21-26(33(41)42)37(5)32(40)28(24-17-11-7-12-18-24)35-30(38)27(23-15-9-6-10-16-23)34-31(39)29(36(3)4)25-19-13-8-14-20-25/h22-29H,6-21H2,1-5H3,(H,34,39)(H,35,38)(H,41,42)/t26-,27-,28-,29-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid has a molecular weight of 590.85 g/mol, XLogP of 4.58, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 11852614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).