5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium

C32H37N3O5PS+ — CID 138522047

IUPAC5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium
SMILESN[C@@H](CSC1CC(=O)N(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O)C(=O)NCC(=O)O
InChIInChI=1S/C32H36N3O5PS/c33-27(31(39)34-22-30(37)38)23-42-28-21-29(36)35(32(28)40)19-11-4-12-20-41(24-13-5-1-6-14-24,25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-3,5-10,13-18,27-28H,4,11-12,19-23,33H2,(H-,34,37,38,39)/p+1/t27-,28?/m0/s1
InChIKeyCPPABQHPTASEGC-MBMZGMDYSA-O
MW606.71 g/mol
LogP2.54
Rot. Bonds15

About 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium

5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium (PubChem CID 138522047) has the molecular formula C32H37N3O5PS+ and a molecular weight of 606.71 g/mol. Its IUPAC name is 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium.

Molecular Properties

Compound Name5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium
PubChem CID138522047
Molecular FormulaC32H37N3O5PS+
Molecular Weight606.71 g/mol
Exact Mass606.22
IUPAC Name5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium
SMILESN[C@@H](CSC1CC(=O)N(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O)C(=O)NCC(=O)O
InChIInChI=1S/C32H36N3O5PS/c33-27(31(39)34-22-30(37)38)23-42-28-21-29(36)35(32(28)40)19-11-4-12-20-41(24-13-5-1-6-14-24,25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-3,5-10,13-18,27-28H,4,11-12,19-23,33H2,(H-,34,37,38,39)/p+1/t27-,28?/m0/s1
InChIKeyCPPABQHPTASEGC-MBMZGMDYSA-O
XLogP2.54
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.71
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]butyl-triphenylphosphanium bromide
CID 138521971
2-[3-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl-triphenylphosphanium bromide
CID 138521989
4-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]butyl-triphenylphosphanium
CID 138521860
2-[3-(2-amino-2-carboxyethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl-triphenylphosphanium bromide
CID 138521797
2-[[2-amino-3-[1-[2-[bromo(triphenyl)-λ5-phosphanyl]ethyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoyl]amino]acetic acid
CID 169080531
(2S)-2-[[(1R)-2-[1-[(5S)-5-[(2-benzamidoacetyl)amino]-5-carboxypentyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-1-carboxyethyl]carbamoylamino]pentanedioic acid
CID 72713394
(2R)-2-amino-3-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoic acid
CID 7036766
(2S)-2-amino-3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoic acid
CID 7036768
(5R)-5-amino-6-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-oxohexanoic acid
CID 159589502
6-[3-[(2R)-2-acetamido-3-(benzylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-phenylhexanamide
CID 146387487
1-(5-methylhexyl)-3-(2-methylpropylsulfanyl)pyrrolidine-2,5-dione
CID 154948740
3-(2-aminopent-3-ynylsulfanyl)-1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
CID 164557899

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium?
The IUPAC name of 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium (CID 138522047) is 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium.
What is the SMILES notation for 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium?
The canonical SMILES for 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium is N[C@@H](CSC1CC(=O)N(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O)C(=O)NCC(=O)O.
What is the InChIKey of 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium?
The InChIKey is CPPABQHPTASEGC-MBMZGMDYSA-O. The full InChI is InChI=1S/C32H36N3O5PS/c33-27(31(39)34-22-30(37)38)23-42-28-21-29(36)35(32(28)40)19-11-4-12-20-41(24-13-5-1-6-14-24,25-15-7-2-8-16-25)26-17-9-3-10-18-26/h1-3,5-10,13-18,27-28H,4,11-12,19-23,33H2,(H-,34,37,38,39)/p+1/t27-,28?/m0/s1.
What are the key properties of 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium?
5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium has a molecular weight of 606.71 g/mol, XLogP of 2.54, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]pentyl-triphenylphosphanium is sourced from PubChem (CID 138522047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).