[(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium

C18H35AsN2O5P+ — CID 172997224

IUPAC[(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
SMILESCC(C)[C@H]([AsH]C(=O)[C@H](C)N)C(=O)NC[C@H](O)CC(C1CCCCC1)[P+](=O)O
InChIInChI=1S/C18H34AsN2O5P/c1-11(2)16(19-17(23)12(3)20)18(24)21-10-14(22)9-15(27(25)26)13-7-5-4-6-8-13/h11-16,19,22H,4-10,20H2,1-3H3,(H-,21,24,25,26)/p+1/t12-,14+,15?,16-/m0/s1
InChIKeyRIUXBORTBAVCRD-WRFLBERSSA-O
MW465.38 g/mol
LogP1.29
Rot. Bonds11

About [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium

[(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium (PubChem CID 172997224) has the molecular formula C18H35AsN2O5P+ and a molecular weight of 465.38 g/mol. Its IUPAC name is [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
PubChem CID172997224
Molecular FormulaC18H35AsN2O5P+
Molecular Weight465.38 g/mol
Exact Mass465.15
IUPAC Name[(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
SMILESCC(C)[C@H]([AsH]C(=O)[C@H](C)N)C(=O)NC[C@H](O)CC(C1CCCCC1)[P+](=O)O
InChIInChI=1S/C18H34AsN2O5P/c1-11(2)16(19-17(23)12(3)20)18(24)21-10-14(22)9-15(27(25)26)13-7-5-4-6-8-13/h11-16,19,22H,4-10,20H2,1-3H3,(H-,21,24,25,26)/p+1/t12-,14+,15?,16-/m0/s1
InChIKeyRIUXBORTBAVCRD-WRFLBERSSA-O
XLogP1.29
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.38
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-4-[[(2S)-2-[(2S)-2-amino-3-methylbutanoyl]arsanylpropanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
CID 172997243
[(3R)-4-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
CID 66594938
[(3R)-4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
CID 69466363
[(3R)-4-[(2-aminoacetyl)amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
CID 66594747
[(3R)-4-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
CID 66594842
[(3R)-4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium
CID 66594292
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
CID 119850509
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
[(2R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11573547
[(2R,6R)-1,7-bis[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-cyclohexyl-2,6-dihydroxyheptan-4-yl]-hydroxy-oxophosphanium
CID 66595321

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium?
The IUPAC name of [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium (CID 172997224) is [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium?
The canonical SMILES for [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium is CC(C)[C@H]([AsH]C(=O)[C@H](C)N)C(=O)NC[C@H](O)CC(C1CCCCC1)[P+](=O)O.
What is the InChIKey of [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium?
The InChIKey is RIUXBORTBAVCRD-WRFLBERSSA-O. The full InChI is InChI=1S/C18H34AsN2O5P/c1-11(2)16(19-17(23)12(3)20)18(24)21-10-14(22)9-15(27(25)26)13-7-5-4-6-8-13/h11-16,19,22H,4-10,20H2,1-3H3,(H-,21,24,25,26)/p+1/t12-,14+,15?,16-/m0/s1.
What are the key properties of [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium?
[(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium has a molecular weight of 465.38 g/mol, XLogP of 1.29, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[[(2S)-2-[(2S)-2-aminopropanoyl]arsanyl-3-methylbutanoyl]amino]-1-cyclohexyl-3-hydroxybutyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 172997224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).