L-Valine, N-(N-((2-(hydroxy(2-phenyl-1-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)ethyl)phosphinyl)cyclopentyl)carbonyl)-L-valyl)-, methyl ester
Basic information
- CAS
126333-35-5- Standard SMILES
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCCC1P(=O)(O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C- InChIKey
ZPVMCCHLCDLGSU-MGJFPLSCSA-N- Molecular formula
- C34H55N6O10P
- Average molar mass
- 738.8 g/mol
- Monoisotopic mass
- 738.37172897
Names & identifiers
- Preferred name
- L-Valine, N-(N-((2-(hydroxy(2-phenyl-1-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)ethyl)phosphinyl)cyclopentyl)carbonyl)-L-valyl)-, methyl ester
- IUPAC
- [(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenylethyl]-[2-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]phosphinic acid
Names & synonyms
SAA-12-VV-OMe126333-35-5L-Valine, N-(N-((2-(hydroxy(2-phenyl-1-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)ethyl)phosphinyl)cyclopentyl)carbonyl)-L-valyl)-, methyl esterL-Valine, N-[N-[[2-[hydroxy[2-phenyl-1-[[N-(N-L-seryl-L-alanyl)-L-alanyl]amino]ethyl]phosphinyl]cyclopentyl]carbonyl]-L-valyl]-, methyl ester[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-[2-[[(1S)-1-[[(1S)-1-methoxycarbonyl-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]cyclopentyl]phosphinic acid
Database identifiers
- CAS
126333-35-5- PubChem CID
- 451642
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,280
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Compound notes
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