Basic information
- CAS
860605-12-5- Standard SMILES
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O- InChIKey
KGIHRVOXOMNCFE-XLAHBAAGSA-N- Molecular formula
- C48H53N9O7
- Average molar mass
- 868 g/mol
- Monoisotopic mass
- 867.40679506
Names & identifiers
- Preferred name
- L-Tryptophyl-L-tryptophyl-L-prolyl-L-tryptophyl-L-prolyl-L-proline
- IUPAC
- (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Names & synonyms
860605-12-5L-Tryptophyl-L-tryptophyl-L-prolyl-L-tryptophyl-L-prolyl-L-prolineDTXSID90833526
Database identifiers
- CAS
860605-12-5- PubChem CID
- 71414031
- DTXSID
DTXSID90833526
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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