Basic information
- CAS
93245-71-7- Standard SMILES
CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)O- InChIKey
SWPINJCGZHYCMT-GJLLLRFJSA-N- Molecular formula
- C28H40N6O10
- Average molar mass
- 620.7 g/mol
- Monoisotopic mass
- 620.28059148
Overview
structure given in first source
Names & identifiers
- Preferred name
- Valyl-tyrosyl-prolyl-isoaspartyl-glycyl-alanine
- IUPAC
- (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[2-[[(1S)-1-carboxyethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
- English name
- valyl-tyrosyl-prolyl-isoaspartyl-glycyl-alanine
- Molecular formula
- C28H40N6O10
- Molecular weight
- 620.6514
Names & synonyms
Val-tyr-pro-isoasp-gly-alaValyl-tyrosyl-prolyl-isoaspartyl-glycyl-alanine93245-71-7DTXSID90239347RefChem:193636DTXCID10161838Val-Tyr-Pro-Asp-Gly-AlaL-Valyl-L-tyrosyl-L-prolyl-L-alpha-aspartylglycyl-L-alanine
Database identifiers
- CAS
93245-71-7- PubChem CID
- 5486907
- DTXSID
DTXSID90239347- Nikkaji
- J533.471C
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 258 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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