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Arg-AMS

CAT: 0013-GTR19153982-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153982-02Size:250 mg
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Description
Arg-AMS is a potent nanomolar inhibitor of arginyl tRNA synthetase, which displays tightly bound inhibitory characteristics for the A-domains in non-ribosomal peptide synthetases (NRPS) enzymes.
CAS Number
301351-95-1
Purity
>98%
Smiles
O[C@@H] ([C@H] ([C@H] (N1C=NC2=C1N=CN=C2N) O3) O) [C@H]3COS (=O) (NC ([C@@H] (N) CCCNC (N) =N) =O) =O
Molecular Formula
C16H26N10O7S
Molecular Weight
502.51
Notes
For research use only.

Chemical Information

Arg-AMS
CAS Number301351-95-1
PubChem CID9983529
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]sulfamate
Molecular FormulaC16H26N10O7S
Molecular Weight502.5
XLogP-4.5
Topological Polar Surface Area291
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity838
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCN=C(N)N)N)O)O)N
InChI
InChI=1S/C16H26N10O7S/c17-7(2-1-3-21-16(19)20)14(29)25-34(30,31)32-4-8-10(27)11(28)15(33-8)26-6-24-9-12(18)22-5-23-13(9)26/h5-8,10-11,15,27-28H,1-4,17H2,(H,25,29)(H2,18,22,23)(H4,19,20,21)/t7-,8+,10+,11+,15+/m0/s1
InChIKey
BPKLMCNLHSJSEL-JVEUSOJLSA-N
Chemical Structure
2D Structure
2D structure of Arg-AMS
CAS: 301351-95-1
CID: 9983529
Formula: C16H26N10O7S
MW: 502.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight502.5
XLogP3-4.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass502.17066438
Monoisotopic Mass502.17066438
Topological Polar Surface Area291 Ų
Heavy Atom Count34
Formal Charge0
Complexity838
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes