t-Butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl ester
Basic information
- CAS
127363-91-1- Standard SMILES
COC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C- InChIKey
RSDDIXBRSNNUJI-WPMUBMLPSA-N- Molecular formula
- C42H76N8O11
- Average molar mass
- 869.1 g/mol
- Monoisotopic mass
- 868.56335527
Names & identifiers
- Preferred name
- t-Butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl ester
- IUPAC
- methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoate
- English name
- t-butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl ester
- Molecular formula
- C42H76N8O11
- Molecular weight
- 869.09984
Names & synonyms
Valu-8127363-91-1Boc-val-ala-leu-aib-val-ala-leu-aib-omet-Butyloxycarbonyl-valyl-alanyl-leucyl-2-aminoisobutyryl-valyl-alanyl-leucyl-2-aminoisobutyryl methyl esterDTXSID20155501RefChem:187063DTXCID4077992methyl 2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[2-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]butanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoateAlanine, N-(N-(N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-L-alanyl)-L-leucyl)-2-methylalanyl)-L-valyl)-L-alanyl)-L-leucyl)-2-methyl-, methyl esterMethyl N-(tert-butoxycarbonyl)-L-valyl-L-alanyl-L-leucyl-2-methylalanyl-L-valyl-L-alanyl-L-leucyl-2-methylalaninate
Database identifiers
- CAS
127363-91-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 268 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 25
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,570
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Compound notes
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