Basic information
- CAS
867198-40-1- Standard SMILES
NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O- InChIKey
BHWLTFLRBLMUNC-NXBWRCJVSA-N- Molecular formula
- C46H82N20O11
- Average molar mass
- 1,091.3 g/mol
- Monoisotopic mass
- 1,090.64719351
Names & identifiers
- Preferred name
- H-Tyr-Gly-Arg-Lys-Lys-Arg-Arg-Gln-OH
- IUPAC
- (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
Names & synonyms
CTK2I3208867198-40-1DTXSID10469669L-Tyrosylglycyl-N~5~-(diaminomethylidene)-L-ornithyl-L-lysyl-L-lysyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethylidene)-L-ornithyl-L-glutamine
Database identifiers
- CAS
867198-40-1- PubChem CID
- 11629474
- DTXSID
DTXSID10469669
Properties
Computed structural properties
- XLogP
- -9.2
- Topological polar surface area
- 576 Ų
- Hydrogen bond donors
- 19
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 40
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 1,970
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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