Butanoic acid, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-2-amino-
Basic information
- CAS
123952-14-7- 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)CC)[C@@H](C)O)C(=O)O- InChIKey
HPEBQHGJJYECRG-KJSGDYLNSA-N- Molecular formula
- C25H38N6O9
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.27002681
Names & identifiers
- Preferred name
- Butanoic acid, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-2-amino-
- IUPAC
- (2S)-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]butanoic acid
Names & synonyms
H-Abu-Thr-Asn-Tyr-Abu-OHButanoic acid, L-2-aminobutanoyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-2-amino-123952-14-7H-alpha-Aminobutyric acid-Thr-Asn-Tyr-alpha-Aminobutyric acid-OHDTXSID90154167H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-.alpha.-Aminobutyric acid-OHN-[(2S)-2-Aminobutanoyl]-L-threonyl-L-asparaginyl-N-[(1S)-1-carboxypropyl]-L-tyrosinamideH-Abu-Thr-Asn-Tyr-Abu-OH; H-.alpha.-Aminobutyric acid-Thr-Asn-Tyr-.alpha.-Aminobutyric acid-OH
Database identifiers
- CAS
123952-14-7- PubChem CID
- 451611
- DTXSID
DTXSID90154167
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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…