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Jam 2-263

CAT: 0931-T32255Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32255Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134782-23-3
Target
Others
Related Pathways
Others
Bioactivity
Jam 2-263 is a spermidine-based catechol ferric carrier - carbocephalosporin.
Smiles
N(C(CCC(N(CCCNC(=O)C1=C(O)C(O)=CC=C1)CCCCNC(=O)C2=C(O)C(O)=CC=C2)=O)=O)[C@H]3[C@@]4(N(C3=O)C(C(O)=O)=C(Cl)CC4)[H]
Molecular Formula
C33H38ClN5O11
Molecular Weight
716.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Jam 2-263

structure given in first source; RN given for (6R-trans)-isomer; a siderophore-carbacephalosporin conjugate

CAS Number134782-23-3
PubChem CID3083214
IUPAC Name(6R,7S)-3-chloro-7-[[4-[4-[(2,3-dihydroxybenzoyl)amino]butyl-[3-[(2,3-dihydroxybenzoyl)amino]propyl]amino]-4-oxobutanoyl]amino]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC33H38ClN5O11
Molecular Weight716.1
XLogP1.9
Topological Polar Surface Area246
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count50
Formal Charge0
Complexity1310
SMILES
C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)CCC(=O)N(CCCCNC(=O)C3=C(C(=CC=C3)O)O)CCCNC(=O)C4=C(C(=CC=C4)O)O)C(=O)O)Cl
InChI
InChI=1S/C33H38ClN5O11/c34-20-10-11-21-26(32(48)39(21)27(20)33(49)50)37-24(42)12-13-25(43)38(17-5-15-36-31(47)19-7-4-9-23(41)29(19)45)16-2-1-14-35-30(46)18-6-3-8-22(40)28(18)44/h3-4,6-9,21,26,40-41,44-45H,1-2,5,10-17H2,(H,35,46)(H,36,47)(H,37,42)(H,49,50)/t21-,26+/m1/s1
InChIKey
JPWNHFIUVFVMIF-RLWLMLJZSA-N
Chemical Structure
2D Structure
2D structure of Jam 2-263
CAS: 134782-23-3
CID: 3083214
Formula: C33H38ClN5O11
MW: 716.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight716.1
XLogP31.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass715.2256347
Monoisotopic Mass715.2256347
Topological Polar Surface Area246 Ų
Heavy Atom Count50
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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