methyl (2R)-2-[[(2R)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
Basic information
- CAS
144285-77-8- Standard SMILES
COC(=O)[C@H](NC(=O)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C- InChIKey
IUDCAKKZLXFOQA-SQRYLOHGSA-N- Molecular formula
- C29H47N5O7
- Average molar mass
- 577.7 g/mol
- Monoisotopic mass
- 577.34754886
Names & identifiers
- Preferred name
- methyl (2R)-2-[[(2R)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
- IUPAC
- methyl (2R)-2-[[(2R)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Names & synonyms
L-Valine, N-(N-(N-(2-((N-L-alanyl-L-alanyl)amino)-1-hydroxy-3-phenylpropyl)- glycyl)-L-valyl)-, methyl ester, (S-(R*,R*))-methyl (2R)-2-[[(2R)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
Database identifiers
- CAS
144285-77-8- PubChem CID
- 73195
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 876
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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