Basic information
- CAS
121197-29-3- 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)O)[C@@H](C)O)[C@@H](C)O- InChIKey
XXIBUOIZUUIWCD-QJYAINQKSA-N- Molecular formula
- C25H38N6O10
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.26494143
Names & identifiers
- Preferred name
- L-Threonine, 2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-
- IUPAC
- (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-hydroxybutanoic acid
- English name
- aminobutyryl-threonyl-asparaginyl-tyrosyl-threonine
- Molecular formula
- C25H38N6O10
- Molecular weight
- 582.6
Names & synonyms
H-Abu-Thr-Asn-Tyr-Thr-OHL-Threonine, 2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-DTXSID50923710H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-OHH-Abu-Thr-Asn-Tyr-Thr-OH; H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-OHN-[(2S)-2-{[(2S)-2-{[(2S,3R)-2-{[(2S)-2-Amino-1-hydroxybutylidene]amino}-1,3-dihydroxybutylidene]amino}-1,4-dihydroxy-4-iminobutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]-L-threonineN-[2-{[2-({2-[(2-Amino-1-hydroxybutylidene)amino]-1,3-dihydroxybutylidene}amino)-1,4-dihydroxy-4-iminobutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]threonineaminobutyryl-threonyl-asparaginyl-tyrosyl-threonineL-Threonine, 2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl- (9CI)
Database identifiers
- CAS
121197-29-3- PubChem CID
- 451607
- DTXSID
DTXSID50923710
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 942
Physicochemical properties
- Boiling point
- 1139.6 · 1139.6±65.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- 3.21 · 3.21±0.10(Predicted)
Chemistry & industry
Suppliers4 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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