(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
Basic information
- CAS
83471-50-5- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O- InChIKey
KWLNZVXBGCEDOO-QKUYTOGTSA-N- Molecular formula
- C38H57N9O9
- Average molar mass
- 783.9 g/mol
- Monoisotopic mass
- 783.42792443
Names & identifiers
- Preferred name
- (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
- IUPAC
- (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
- English name
- alpha-Casein (90-95)
- Molecular formula
- C38H57N9O9
- Molecular weight
- 783.91
Names & synonyms
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid-Casein (90-95)orb1983850SCHEMBL30536835DTXSID301003450HY-P1793TP1695DA-79156FC108579CS-0095735L-Arginyl-L-tyrosyl-L-leucylglycyl-L-tyrosyl-L-leucineN-[(6S,9S,12S,18S)-1,6-Diamino-7,10,13,16,19-pentahydroxy-9,18-bis[(4-hydroxyphenyl)methyl]-1-imino-12-(2-methylpropyl)-2,8,11,14,17-pentaazanonadeca-7,10,13,16-tetraen-19-ylidene]-L-leucine
Show more names
RTLGYLfragment90-95α-Casein(90-95)a-Casein (90-95)ALFA-CASEIN (90-95)alpha-Casein (90-95)A-casein fragment 90-95ARG-TYR-LEU-GLY-TYR-LEU
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 314 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 23
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,310
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- Solid
- pka
- 3.37 · 3.37±0.10(Predicted)
- color
- White to off-white
- Sequence
- Arg-Tyr-Leu-Gly-Tyr-Leu
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Usesα-Casein (90-95) is a peptide fragment of α-Casein.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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