Basic information
- CAS
126333-33-3- Standard SMILES
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CP(=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
KWOGWDMYILKDND-ZLBQLAPWSA-N- Molecular formula
- C30H49N6O10P
- Average molar mass
- 684.7 g/mol
- Monoisotopic mass
- 684.32477878
Names & identifiers
- Preferred name
- L-Valine, N-(N-((hydroxy(2-phenyl-1-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)ethyl)phosphinyl)acetyl)-L-valyl)-, methyl ester, (R)-
- 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]amino]-2-oxoethyl]phosphinic acid
Names & synonyms
SAA-10-VV-OMe126333-33-3CHEMBL423661L-Valine, N-(N-((hydroxy(2-phenyl-1-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)ethyl)phosphinyl)acetyl)-L-valyl)-, methyl ester, (R)-L-Valine, N-[N-[[hydroxy[2-phenyl-1-[[N-(N-L-seryl-L-alanyl)-L-alanyl]amino]ethyl]phosphinyl]acetyl]-L-valyl]-, methyl ester, (R)-DTXSID60155146BDBM50000949[(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]amino]-2-oxo-ethyl]phosphinic acidL-Seryl-L-alanyl-N-[(4S,7S,12R)-11-hydroxy-3,6,9,11-tetraoxo-13-phenyl-4,7-di(propan-2-yl)-2-oxa-5,8-diaza-11lambda~5~-phosphatridecan-12-yl]-L-alaninamide
Database identifiers
- CAS
126333-33-3- PubChem CID
- 451640
- DTXSID
DTXSID60155146- ChEMBL
CHEMBL423661
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 19
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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