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MT0703

CAT: 0013-GTR19238752-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238752-03Size:25 mg
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Description
MT0703 is a cephalosporin antibiotic characterized by an aminothiazolylglycyl side chain and a 1,5-dihydroxy-4-pyridinone-2-carbonyl group. It exhibits potent anti-pseudomonal activity, making it a candidate for research in infectious disease models, including in vitro susceptibility testing and in vivo efficacy studies against Pseudomonas aeruginosa infections.
CAS Number
108353-14-6
Field of Research
Infectious Disease & Virology
Smiles
C ([O-]) (=O) C=1N2[C@@] ([C@H] (NC (C (NC (=O) C=3N (O) C=C (O) C (=O) C3) C4=CSC (N) =N4) =O) C2=O) (SCC1CSC=5C=C[N+] (CCO) =CC5) [H]
Molecular Formula
C26H25N7O9S3
Molecular Weight
675.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MT 0703

structure given in first source

CAS Number108353-14-6
PubChem CID163788
IUPAC Name(6S,7S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-[[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC26H25N7O9S3
Molecular Weight675.7
XLogP-0.2
Topological Polar Surface Area321
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity1330
SMILES
C1C(=C(N2[C@@H](S1)[C@H](C2=O)NC(=O)C(C3=CSC(=N3)N)NC(=O)C4=CC(=O)C(=CN4O)O)C(=O)[O-])CSC5=CC=[N+](C=C5)CCO
InChI
InChI=1S/C26H25N7O9S3/c27-26-28-14(11-45-26)18(29-21(37)15-7-16(35)17(36)8-32(15)42)22(38)30-19-23(39)33-20(25(40)41)12(10-44-24(19)33)9-43-13-1-3-31(4-2-13)5-6-34/h1-4,7-8,11,18-19,24,34,42H,5-6,9-10H2,(H5-,27,28,29,30,36,37,38,40,41)/t18?,19-,24-/m0/s1
InChIKey
NRHJTCQXBIEKIC-GRZKKUKKSA-N
Chemical Structure
2D Structure
2D structure of MT 0703
CAS: 108353-14-6
CID: 163788
Formula: C26H25N7O9S3
MW: 675.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight675.7
XLogP3-0.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass675.08758892
Monoisotopic Mass675.08758892
Topological Polar Surface Area321 Ų
Heavy Atom Count45
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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