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SIYRY

CAT: 0931-TP1548-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1548-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
178561-37-0
Bioactivity
SIYRY is a Kb-restricted epitope peptide.
Smiles
[C@H](CC1=CC=C(O)C=C1)(C(N[C@H](C(N[C@@H](CC2=CC=C(O)C=C2)C(N[C@@H](CC3=CC=C(O)C=C3)C(NCC(N[C@@H](CC(C)C)C(O)=O)=O)=O)=O)=O)CCCNC(=N)N)=O)NC([C@@H](NC([C@H](CO)N)=O)[C@H](CC)C)=O
Molecular Formula
C50H71N11O13
Molecular Weight
1034.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Siyry
CAS Number178561-37-0
PubChem CID445781
IUPAC Name(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
Molecular FormulaC50H71N11O13
Molecular Weight1034.2
XLogP-2.3
Topological Polar Surface Area412
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Heavy Atom Count74
Formal Charge0
Complexity1850
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C50H71N11O13/c1-5-28(4)42(61-43(67)35(51)26-62)48(72)60-39(24-31-12-18-34(65)19-13-31)46(70)57-36(7-6-20-54-50(52)53)45(69)59-38(23-30-10-16-33(64)17-11-30)47(71)58-37(22-29-8-14-32(63)15-9-29)44(68)55-25-41(66)56-40(49(73)74)21-27(2)3/h8-19,27-28,35-40,42,62-65H,5-7,20-26,51H2,1-4H3,(H,55,68)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,72)(H,61,67)(H,73,74)(H4,52,53,54)/t28-,35-,36-,37-,38-,39-,40-,42-/m0/s1
InChIKey
NCXOVKZJFXNTSR-KRKATAPPSA-N
Chemical Structure
2D Structure
2D structure of Siyry
CAS: 178561-37-0
CID: 445781
Formula: C50H71N11O13
MW: 1034.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1034.2
XLogP3-2.3
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count15
Rotatable Bond Count30
Exact Mass1033.52328136
Monoisotopic Mass1033.52328136
Topological Polar Surface Area412 Ų
Heavy Atom Count74
Formal Charge0
Complexity1850
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M30247SIYRY
GTR18918683-01SIYRY acetate (178561-37-0 free base)

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