Siyry
Basic information
- CAS
178561-37-0- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O- InChIKey
NCXOVKZJFXNTSR-KRKATAPPSA-N- Molecular formula
- C50H71N11O13
- Average molar mass
- 1,034.2 g/mol
- Monoisotopic mass
- 1,033.52328136
Names & identifiers
- Preferred name
- Siyry
- IUPAC
- (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoic acid
- English name
- SIYRY
- Molecular formula
- C50H71N11O13
- Molecular weight
- 1034.16
Names & synonyms
SIYRY178561-37-01g6r(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoic acidL-Leucine, L-seryl-L-isoleucyl-L-tyrosyl-L-arginyl-L-tyrosyl-L-tyrosylglycyl-orb1983972SCHEMBL31756855DTXSID50332202HY-P1804TP1548H-Ser-Ile-Tyr-Arg-Tyr-Tyr-Gly-Leu-OHDA-67615
Show more names
H-Ser-Ile-Tyr-Arg-Tyr-Tyr-Gly-Leu-OH trifluoroacetate salt
CS-0095882L-Seryl-L-isoleucyl-L-tyrosyl-N~5~-(diaminomethylidene)-L-ornithyl-L-tyrosyl-L-tyrosylglycyl-L-leucine
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 412 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 30
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,850
Physicochemical properties
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.10(Predicted)
- Sequence
- Ser-Ile-Tyr-Arg-Tyr-Tyr-Gly-Leu
Chemistry & industry
Applications
UsesSIYRY is a Kb-restricted epitope peptide[1].
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Compound notes
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