(S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

Base Information

• Chemical Name: (S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
• CAS No.: 846550-95-6
• Molecular Formula: C25H38N4O3
• Molecular Weight: 442.59
• DSSTox Substance ID: DTXSID20402481
• Wikidata: Q27093592
• Pharos Ligand ID: UDLWP3AN5X4C
• Metabolomics Workbench ID: 147201
• ChEMBL ID: CHEMBL1230662
• Mol file: 846550-95-6.mol

Synonyms:846550-95-6;(S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE;(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE;1tfq;CHEMBL1230662;SCHEMBL14421200;BDBM13166;DTXSID20402481;DB02628;PD007807;H-N-Me-Ala-Tle-Pro-(R)-tetrahydronaphth-1-yl Amide;Q27093592;(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide

Chemical Property of (S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

Chemical Property:

• PSA: 90.54000
• LogP: 3.42060
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 442.29439109
• Heavy Atom Count: 32
• Complexity: 689

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(C(=O)N1CCCC1C(=O)NC2CCCC3=CC=CC=C23)C(C)(C)C)NC
• Isomeric SMILES: C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]2CCCC3=CC=CC=C23)C(C)(C)C)NC

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