N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium

C64H108N7O16PdS6- — CID 158104208

IUPACN-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium
SMILESCC.CC[C@@H]1C[C@@H](C)CN1.CC[C@@H]1C[C@@H](C)CN1C(=O)CCSSCCC(=O)NCCCCCCN.CC[C@@H]1C[C@@H](C)CN1C(=O)OCc1ccccc1.O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.O=C(O)CCSSCCC(=O)O.[CH3-].[Pd]
InChIInChI=1S/C19H37N3O2S2.C15H21NO2.C14H16N2O8S2.C7H15N.C6H10O4S2.C2H6.CH3.Pd/c1-3-17-14-16(2)15-22(17)19(24)9-13-26-25-12-8-18(23)21-11-7-5-4-6-10-20;1-3-14-9-12(2)10-16(14)15(17)18-11-13-7-5-4-6-8-13;17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20;1-3-7-4-6(2)5-8-7;7-5(8)1-3-11-12-4-2-6(9)10;1-2;;/h16-17H,3-15,20H2,1-2H3,(H,21,23);4-8,12,14H,3,9-11H2,1-2H3;1-8H2;6-8H,3-5H2,1-2H3;1-4H2,(H,7,8)(H,9,10);1-2H3;1H3;/q;;;;;;-1;/t16-,17-;12-,14-;;6-,7-;;;;/m11.1..../s1
InChIKeyIIJNHDXLSGNKMC-CCEPNEDMSA-N
MW1530.42 g/mol
LogP11.42
Rot. Bonds34

About N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium

N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium (PubChem CID 158104208) has the molecular formula C64H108N7O16PdS6- and a molecular weight of 1530.42 g/mol. Its IUPAC name is N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium.

Molecular Properties

Compound NameN-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium
PubChem CID158104208
Molecular FormulaC64H108N7O16PdS6-
Molecular Weight1530.42 g/mol
Exact Mass1528.52
IUPAC NameN-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium
SMILESCC.CC[C@@H]1C[C@@H](C)CN1.CC[C@@H]1C[C@@H](C)CN1C(=O)CCSSCCC(=O)NCCCCCCN.CC[C@@H]1C[C@@H](C)CN1C(=O)OCc1ccccc1.O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.O=C(O)CCSSCCC(=O)O.[CH3-].[Pd]
InChIInChI=1S/C19H37N3O2S2.C15H21NO2.C14H16N2O8S2.C7H15N.C6H10O4S2.C2H6.CH3.Pd/c1-3-17-14-16(2)15-22(17)19(24)9-13-26-25-12-8-18(23)21-11-7-5-4-6-10-20;1-3-14-9-12(2)10-16(14)15(17)18-11-13-7-5-4-6-8-13;17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20;1-3-7-4-6(2)5-8-7;7-5(8)1-3-11-12-4-2-6(9)10;1-2;;/h16-17H,3-15,20H2,1-2H3,(H,21,23);4-8,12,14H,3,9-11H2,1-2H3;1-8H2;6-8H,3-5H2,1-2H3;1-4H2,(H,7,8)(H,9,10);1-2H3;1H3;/q;;;;;;-1;/t16-,17-;12-,14-;;6-,7-;;;;/m11.1..../s1
InChIKeyIIJNHDXLSGNKMC-CCEPNEDMSA-N
XLogP11.42
TPSA318.96 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001530.42
LogP ≤ 511.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium with MolForge

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Related Compounds

benzyl (2S,4S)-4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 66600351
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(phenyldisulfanyl)propanoylamino]ethylcarbamoylamino]propanoate
CID 134455246
benzyl (2S,5R)-2-(aminomethyl)-5-methylpiperidine-1-carboxylate
CID 125117276
6-aminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;6-(2,5-dioxopyrrol-1-yl)-N-(6-hydroxyhexyl)hexanamide;4-[1-(10-methylacridin-9-ylidene)ethylsulfanyl]phenol
CID 54178029
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl (2S)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 86734647
(2,5-dioxopyrrolidin-1-yl) 3-[nitroso-[3-(phenylmethoxycarbonylamino)propyl]amino]propanoate
CID 101377988
(2,5-dioxopyrrolidin-1-yl) 12-oxo-12-(3-triethoxysilylpropylamino)dodecanoate
CID 102112426
(2,5-dioxopyrrolidin-1-yl) 17-[[20-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-11,20-dioxoicosanoyl]amino]-10-oxoheptadecanoate
CID 157110629
4-oxo-4-[5-(phenylmethoxycarbonylamino)pentylamino]butanoic acid
CID 129041037
1-O-benzyl 3-O-methyl 6-ethylpiperidine-1,3-dicarboxylate
CID 67044013
2,6-bis(pentanoylamino)hexanoic acid;2,6-diaminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) pentanoate;methane
CID 157161409
(2,5-dioxopyrrolidin-1-yl) (2S)-4-[[(3S)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoate
CID 59961311

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium?
The IUPAC name of N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium (CID 158104208) is N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium.
What is the SMILES notation for N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium?
The canonical SMILES for N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium is CC.CC[C@@H]1C[C@@H](C)CN1.CC[C@@H]1C[C@@H](C)CN1C(=O)CCSSCCC(=O)NCCCCCCN.CC[C@@H]1C[C@@H](C)CN1C(=O)OCc1ccccc1.O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.O=C(O)CCSSCCC(=O)O.[CH3-].[Pd].
What is the InChIKey of N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium?
The InChIKey is IIJNHDXLSGNKMC-CCEPNEDMSA-N. The full InChI is InChI=1S/C19H37N3O2S2.C15H21NO2.C14H16N2O8S2.C7H15N.C6H10O4S2.C2H6.CH3.Pd/c1-3-17-14-16(2)15-22(17)19(24)9-13-26-25-12-8-18(23)21-11-7-5-4-6-10-20;1-3-14-9-12(2)10-16(14)15(17)18-11-13-7-5-4-6-8-13;17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20;1-3-7-4-6(2)5-8-7;7-5(8)1-3-11-12-4-2-6(9)10;1-2;;/h16-17H,3-15,20H2,1-2H3,(H,21,23);4-8,12,14H,3,9-11H2,1-2H3;1-8H2;6-8H,3-5H2,1-2H3;1-4H2,(H,7,8)(H,9,10);1-2H3;1H3;/q;;;;;;-1;/t16-,17-;12-,14-;;6-,7-;;;;/m11.1..../s1.
What are the key properties of N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium?
N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium has a molecular weight of 1530.42 g/mol, XLogP of 11.42, 34 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-3-[[3-[(2R,4R)-2-ethyl-4-methylpyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanamide;benzyl (2R,4R)-2-ethyl-4-methylpyrrolidine-1-carboxylate;carbanide;3-(2-carboxyethyldisulfanyl)propanoic acid;(2,5-dioxopyrrolidin-1-yl) 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate;ethane;(2R,4R)-2-ethyl-4-methylpyrrolidine;palladium is sourced from PubChem (CID 158104208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).