Basic information
- CAS
123951-86-0- Standard SMILES
CC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)O- InChIKey
SIDAAPWESWGTRF-QJYAINQKSA-N- Molecular formula
- C25H38N6O10
- Average molar mass
- 582.6 g/mol
- Monoisotopic mass
- 582.26494143
Names & identifiers
- Preferred name
- Butanoic acid, L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-2-amino-
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid
Names & synonyms
H-Thr-Thr-Asn-Tyr-Abu-OHButanoic acid, L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-2-amino-123951-86-0H-Thr-Thr-Asn-Tyr-alpha-Aminobutyric acid-OHDTXSID30154161H-Thr-Thr-Asn-Tyr-.alpha.-Aminobutyric acid-OHH-Thr-Thr-Asn-Tyr-Abu-OH; H-Thr-Thr-Asn-Tyr-.alpha.-Aminobutyric acid-OHL-Threonyl-L-threonyl-L-asparaginyl-N-[(1S)-1-carboxypropyl]-L-tyrosinamide
Database identifiers
- CAS
123951-86-0- PubChem CID
- 451610
- DTXSID
DTXSID30154161
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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