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GMPRGA

CAT: 0931-T82276-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T82276-02Size:50 mg
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CAS Number
2059978-58-2
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
GMPRGA, a derivative of Spbeta phages, identifies spAimR within the bacterial cytosol to trigger lysogeny [1].
Smiles
C([C@@H](NC(CN)=O)CCSC)(=O)N1[C@H](C(N[C@H](C(NCC(N[C@H](C(O)=O)C)=O)=O)CCCNC(=N)N)=O)CCC1
Molecular Formula
C23H41N9O7S
Molecular Weight
587.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gmprga
CAS Number2059978-58-2
PubChem CID134812615
IUPAC Name(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]propanoic acid
Molecular FormulaC23H41N9O7S
Molecular Weight587.7
XLogP-5.3
Topological Polar Surface Area290
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count40
Formal Charge0
Complexity946
SMILES
C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)CN
InChI
InChI=1S/C23H41N9O7S/c1-13(22(38)39)29-18(34)12-28-19(35)14(5-3-8-27-23(25)26)31-20(36)16-6-4-9-32(16)21(37)15(7-10-40-2)30-17(33)11-24/h13-16H,3-12,24H2,1-2H3,(H,28,35)(H,29,34)(H,30,33)(H,31,36)(H,38,39)(H4,25,26,27)/t13-,14-,15-,16-/m0/s1
InChIKey
UEXOULUZVZYKES-VGWMRTNUSA-N
Chemical Structure
2D Structure
2D structure of Gmprga
CAS: 2059978-58-2
CID: 134812615
Formula: C23H41N9O7S
MW: 587.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight587.7
XLogP3-5.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass587.28496585
Monoisotopic Mass587.28496585
Topological Polar Surface Area290 Ų
Heavy Atom Count40
Formal Charge0
Complexity946
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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