(S)-ethyl 1-((S)-2-(tert-butoxycarbonylamino)-3-methylbutanoyl)indoline-2-carboxylate

Base Information

• Chemical Name: (S)-ethyl 1-((S)-2-(tert-butoxycarbonylamino)-3-methylbutanoyl)indoline-2-carboxylate
• CAS No.: 166169-35-3
• Molecular Formula: C₂₁H₃₀N₂O₅
• Molecular Weight: 390.48
• DSSTox Substance ID: DTXSID001102188

Synonyms:JVIDGWAYYSBHHJ-IRXDYDNUSA-N;DTXSID001102188;(S)-ethyl 1-((S)-2-(tert-butoxycarbonylamino)-3-methylbutanoyl)indoline-2-carboxylate;166169-35-3;1H-Indole-2-carboxylic acid, 1-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxobutyl]-2,3-dihydro-, ethyl ester, [S-(R*,R*)]-

Chemical Property of (S)-ethyl 1-((S)-2-(tert-butoxycarbonylamino)-3-methylbutanoyl)indoline-2-carboxylate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 390.21547206
• Heavy Atom Count: 28
• Complexity: 584

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1CC2=CC=CC=C2N1C(=O)C(C(C)C)NC(=O)OC(C)(C)C
• Isomeric SMILES: CCOC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

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