3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid N-Hydroxysuccinimidyl Ester

Base Information

• Chemical Name: 3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid N-Hydroxysuccinimidyl Ester
• CAS No.: 460754-32-9
• Molecular Formula: C30H43N3O7
• Molecular Weight: 557.67800
• DSSTox Substance ID: DTXSID80466009
• Wikidata: Q82292368
• Mol file: 460754-32-9.mol

Synonyms:460754-32-9;3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid N-Hydroxysuccinimidyl Ester;(2,5-dioxopyrrolidin-1-yl) (3R)-3-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-yl]carbamoyl]octanoate;SCHEMBL6292982;DTXSID80466009

Chemical Property of 3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid N-Hydroxysuccinimidyl Ester

Chemical Property:

• PKA: 14.17±0.46(Predicted)
• PSA: 125.81000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 4.24490
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 16
• Exact Mass: 557.31010072
• Heavy Atom Count: 40
• Complexity: 871

Purity/Quality:

3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoicAcidN-HydroxysuccinimidylEster ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC(=O)ON1C(=O)CCC1=O)C(=O)NC(C(C)C)C(=O)N2CCCC2COCC3=CC=CC=C3
• Isomeric SMILES: CCCCC[C@H](CC(=O)ON1C(=O)CCC1=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2COCC3=CC=CC=C3

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