tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester
Basic information
- CAS
94492-35-0- Standard SMILES
CCCCSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O- InChIKey
TXGUDNOINHXEMY-RYCFVGSHSA-N- Molecular formula
- C30H41N5O7S
- Average molar mass
- 615.7 g/mol
- Monoisotopic mass
- 615.27266984
Overview
has effect on prolactin & growth hormone
Names & identifiers
- Preferred name
- tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester
- IUPAC
- (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-butylsulfanylpropanoic acid
- English name
- tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester
- Molecular formula
- C30H41N5O7S
- Molecular weight
- 615.74
Names & synonyms
Tyrosyl-alanylglycyl-phenylalanyl-cysteine S-butyl ester94492-35-0Tyr-ala-gly-phe-cys(Bu)DTXSID90241506RefChem:192727DTXCID50163997Tyr-D-Ala-Gly-Phe-Cys(Bu)L-Tyrosyl-D-alanylglycyl-L-phenylalanyl-S-butyl-L-cysteineL-Cysteine, S-butyl-N-[N-[N-(N-L-tyrosyl-D-alanyl)glycyl]-L-phenylalanyl]- (9CI)(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-butylsulfanylpropanoic acid
Database identifiers
- CAS
94492-35-0- PubChem CID
- 5486916
- DTXSID
DTXSID90241506
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 909
Physicochemical properties
- Boiling point
- 1028.02 · 1028.020±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.061 · 3.061±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…