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Flu mp 58

CAT: 0926-CRB1001165-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-CRB1001165-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141368-69-6
Synonyms
H-GILGFVFTL-OH; HLA-A*02:01 Influenza M1 peptide, Influenza Matrix Protein M1 (58 - 66), CEF1, M158-66 matrix protein epitope; Influe nza M Matrix1 (58-66) (HLA-A2) ; GILGFVFTL-acid; H-Gly-Ile-Leu-Gly-Phe-Val-Phe-Thr-Leu-OH; HLA-A*02:01 Influenza M1 peptide; In
Molecular Formula
C49H75N9O11
Molecular Weight
966.18 g/mol
Controlled
No

Chemical Information

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
CAS Number141368-69-6
PubChem CID446076
IUPAC Name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC49H75N9O11
Molecular Weight966.2
XLogP1.7
Topological Polar Surface Area316
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count69
Formal Charge0
Complexity1700
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CN
InChI
InChI=1S/C49H75N9O11/c1-10-30(8)41(56-38(60)25-50)47(66)53-34(21-27(2)3)43(62)51-26-39(61)52-35(23-32-17-13-11-14-18-32)44(63)57-40(29(6)7)46(65)54-36(24-33-19-15-12-16-20-33)45(64)58-42(31(9)59)48(67)55-37(49(68)69)22-28(4)5/h11-20,27-31,34-37,40-42,59H,10,21-26,50H2,1-9H3,(H,51,62)(H,52,61)(H,53,66)(H,54,65)(H,55,67)(H,56,60)(H,57,63)(H,58,64)(H,68,69)/t30-,31+,34-,35-,36-,37-,40-,41-,42-/m0/s1
InChIKey
NBDRFCQNHCTWII-CXECYRLYSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
CAS: 141368-69-6
CID: 446076
Formula: C49H75N9O11
MW: 966.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight966.2
XLogP31.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass965.55860424
Monoisotopic Mass965.55860424
Topological Polar Surface Area316 Ų
Heavy Atom Count69
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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