Basic information
- CAS
654652-62-7- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)O)C(C)C- InChIKey
BVNJRSIUWICTPB-GWMXZIRISA-N- Molecular formula
- C46H72N12O13
- Average molar mass
- 1,001.1 g/mol
- Monoisotopic mass
- 1,000.5341804
Names & identifiers
- Preferred name
- L-Histidyl-L-seryl-L-leucyl-L-prolyl-L-lysyl-L-valyl-L-seryl-L-tyrosyl-L-alanine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
Names & synonyms
654652-62-7L-Histidyl-L-seryl-L-leucyl-L-prolyl-L-lysyl-L-valyl-L-seryl-L-tyrosyl-L-alanineDTXSID30798544
Database identifiers
- CAS
654652-62-7- PubChem CID
- 71375813
- DTXSID
DTXSID30798544
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 403 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 29
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…