(S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate

Base Information

• Chemical Name: (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate
• CAS No.: 68762-05-0
• Molecular Formula: C26H31N3O5
• Molecular Weight: 465.5
• European Community (EC) Number: 667-917-1
• Wikidata: Q107891187
• Mol file: 68762-05-0.mol

Synonyms:68762-05-0;(S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate;SCHEMBL5377145;OHZAXUMDYYYQQE-RTFZILSDSA-N;methyl (2S)-2-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanamido]-3-(1H-indol-3-yl)propanoate;N-benzyloxycarbonyl-(L)-isoleucyl-(L)-tryptophan methyl ester;Nalpha -Benzyloxycarbonyl-L-isoleucyl-L-tryptophan methyl ester

Chemical Property of (S)-Methyl 2-((2S,3S)-2-(((benzyloxy)carbonyl)amino)-3-methylpentanamido)-3-(1H-indol-3-yl)propanoate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 465.22637110
• Heavy Atom Count: 34
• Complexity: 681

Purity/Quality:

CARBOBENZYLOXY-L-ISOLEUCYL-L-TRYPTOPHAN METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)OCC3=CC=CC=C3
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)OCC3=CC=CC=C3

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