Basic information
- CAS
123951-84-8- 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(N)=O)[C@@H](C)O)[C@@H](C)O- InChIKey
ZSPUZMYNBPIWRV-QJYAINQKSA-N- Molecular formula
- C25H39N7O9
- Average molar mass
- 581.6 g/mol
- Monoisotopic mass
- 581.28092585
Names & identifiers
- Preferred name
- L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-
- IUPAC
- (2S)-2-[[(2S,3R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxybutanoyl]amino]-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide
Names & synonyms
H-Abu-Thr-Asn-Tyr-Thr-NH2L-Threoninamide, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-123951-84-8H-alpha-Aminobutyric acid-Thr-Asn-Tyr-Thr-NH2DTXSID70154160H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-NH2H-Abu-Thr-Asn-Tyr-Thr-NH2; H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-Thr-NH2N-[(2S)-2-Aminobutanoyl]-L-threonyl-L-asparaginyl-L-tyrosyl-L-threoninamide
Database identifiers
- CAS
123951-84-8- PubChem CID
- 451609
- DTXSID
DTXSID70154160
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 289 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 942
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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