Butanoic acid, L-threonyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-
Basic information
- CAS
123951-90-6- Standard SMILES
CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O- InChIKey
QBRHVAJXEQNMBR-KJSGDYLNSA-N- Molecular formula
- C25H38N6O9
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.27002681
Names & identifiers
- Preferred name
- Butanoic acid, L-threonyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid
Names & synonyms
H-Thr-Abu-Asn-Tyr-Abu-OHButanoic acid, L-threonyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino-123951-90-6DTXSID50154163H-Thr-Abu-Asn-Tyr-Abu-OH; H-Thr-Abu-Asn-Tyr-Abu-OHN~2~-[(2S)-2-(L-Threonylamino)butanoyl]-L-asparaginyl-N-[(1S)-1-carboxypropyl]-L-tyrosinamide
Database identifiers
- CAS
123951-90-6- PubChem CID
- 452086
- DTXSID
DTXSID50154163
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 263 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 909
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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