Basic information
- CAS
629616-48-4- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)O- InChIKey
OXUDSWBVDUJDAD-MEFCWCEJSA-N- Molecular formula
- C34H56N10O13
- Average molar mass
- 812.9 g/mol
- Monoisotopic mass
- 812.40283188
Names & identifiers
- Preferred name
- L-Prolyl-L-threonyl-L-threonyl-L-leucyl-L-alanyl-L-seryl-L-histidyl-L-serine
- IUPAC
- (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid
Names & synonyms
629616-48-4DTXSID00804101L-Prolyl-L-threonyl-L-threonyl-L-leucyl-L-alanyl-L-seryl-L-histidyl-L-serine
Database identifiers
- CAS
629616-48-4- PubChem CID
- 71381663
- DTXSID
DTXSID00804101
Properties
Computed structural properties
- XLogP
- -6.4
- Topological polar surface area
- 363 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 23
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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