Basic information
- CAS
646060-87-9- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)O- InChIKey
VEVIBYVLSCXFIN-KQBMMHAASA-N- Molecular formula
- C43H73N11O11
- Average molar mass
- 920.1 g/mol
- Monoisotopic mass
- 919.54910219
Names & identifiers
- Preferred name
- H-Leu-Leu-Leu-His-Leu-Ser-Pro-Gly-Ala-OH
- IUPAC
- (2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
Names & synonyms
646060-87-9CTK2A4813H-Leu-Leu-Leu-His-Leu-Ser-Pro-Gly-Ala-OHDTXSID80439495L-Leucyl-L-leucyl-L-leucyl-L-histidyl-L-leucyl-L-seryl-L-prolylglycyl-L-alanine
Database identifiers
- CAS
646060-87-9- PubChem CID
- 10418331
- DTXSID
DTXSID80439495
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 336 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 27
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,650
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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