Basic information
- CAS
123951-82-6- Standard SMILES
CC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)OC)[C@@H](C)O)[C@@H](C)O- InChIKey
YQBFEFWNIXXSLD-UZZCTUCQSA-N- Molecular formula
- C26H40N6O10
- Average molar mass
- 596.6 g/mol
- Monoisotopic mass
- 596.28059149
Names & identifiers
- Preferred name
- L-Threonine, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-, methyl ester
- IUPAC
- methyl (2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoate
Names & synonyms
H-Abu-Thr-Asn-Tyr-Thr-OCH3L-Threonine, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-, methyl ester123951-82-6H-alpha-Aminobutyric acid-Thr-Asn-Tyr-Thr-OCH3DTXSID60154159H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-OCH3H-Abu-Thr-Asn-Tyr-Thr-OCH3; H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-OCH3Methyl N-[(2S)-2-aminobutanoyl]-L-threonyl-L-asparaginyl-L-tyrosyl-L-threoninate
Database identifiers
- CAS
123951-82-6- PubChem CID
- 451608
- DTXSID
DTXSID60154159
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 958
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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