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Teicoplanin A3-1

CAT: 0804-HY-130340-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130340-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Teicoplanin A3-1 is a degradation product of teicoplanins A2-1 to 5 (Item Nos. 20187, 20188, 20189, 20192) . Teicoplanins are glycopeptide antibiotics produced by A. teichomyceticus that are broadly effective against Gram-positive bacteria in vitro.
CAS Number
93616-27-4
Product Name Alternative
Teichomycin A3 factor 1; Antibiotic L 17054
UNSPSC
12352005
Target
Antibiotic
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/teicoplanin-a3-1.html
Smiles
CC(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H]3C(N[C@H](C(O)=O)C4=C(C5=C(O)C=CC([C@@H](NC([C@H]6C7=CC(OC8=C(Cl)C=C(C=C8)C[C@@H]9C(N[C@H](C(N6)=O)C%10=CC(O)=CC(OC%11=C(O)C=CC([C@@H](N)C(N9)=O)=C%11)=C%10)=O)=C(O)C(OC%12=C(Cl)C=C2C=C%12)=C7)=O)C(N3)=O)=C5)C(O[C@@H]%13[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O%13)=CC(O)=C4)=O)=O
Molecular Formula
C72H68Cl2N8O28
Molecular Weight
1564.25
References & Citations
[1]Somma, et al. Teicoplanin, a new antibiotic from Actinoplanes teichomyceticus nov. sp. Antimicrob. Agents Chemother. 26 (6), 917-923 (1984) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Teicoplanin A3-1

Teicoplanin A3-1 is a glycopeptide consisting of a macropolycyclic heptapeptide in which a phenolic hydroxy group has been converted to its alpha-D-mannoside while a secondary alcohol group has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucoside. It has a role as a bacterial metabolite. It is a member of acetamides, a glycopeptide, a polyol, a polyphenol, an aromatic ether, a macrocycle and a member of monochlorobenzenes.

CAS Number93616-27-4
PubChem CID16152170
IUPAC Name(1S,2R,19R,22R,34S,37R,40R,52S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-5,15-dichloro-26,31,44,49,64-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
Molecular FormulaC72H68Cl2N8O28
Molecular Weight1564.2
XLogP-1.7
Topological Polar Surface Area574
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count29
Rotatable Bond Count8
Heavy Atom Count110
Formal Charge0
Complexity3290
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=C(C=CC(=C6)[C@H](C(=O)N3)NC(=O)[C@H]7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9)Cl)O)OC1=C(C=C(C[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC3=C(C=CC(=C3)[C@H](C(=O)N2)N)O)O)C(=O)N7)C=C1)Cl)O)C(=O)O)CO)O)O
InChI
InChI=1S/C72H68Cl2N8O28/c1-24(85)76-55-60(93)58(91)47(22-83)108-71(55)110-63-28-5-9-42(37(74)15-28)106-46-18-30-17-45(57(46)90)105-41-8-2-25(10-36(41)73)11-38-64(96)78-52(29-12-31(86)19-33(13-29)104-43-16-26(3-7-40(43)89)50(75)65(97)77-38)67(99)80-53(30)68(100)79-51-27-4-6-39(88)34(14-27)49-35(54(70(102)103)81-69(101)56(63)82-66(51)98)20-32(87)21-44(49)107-72-62(95)61(94)59(92)48(23-84)109-72/h2-10,12-21,38,47-48,50-56,58-63,71-72,83-84,86-95H,11,22-23,75H2,1H3,(H,76,85)(H,77,97)(H,78,96)(H,79,100)(H,80,99)(H,81,101)(H,82,98)(H,102,103)/t38-,47-,48-,50-,51-,52+,53-,54+,55-,56+,58-,59-,60-,61+,62+,63-,71+,72+/m1/s1
InChIKey
SUFIXUDUKRJOBH-JSMFNTJWSA-N
Chemical Structure
2D Structure
2D structure of Teicoplanin A3-1
CAS: 93616-27-4
CID: 16152170
Formula: C72H68Cl2N8O28
MW: 1564.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1564.2
XLogP3-1.7
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count29
Rotatable Bond Count8
Exact Mass1562.3520089
Monoisotopic Mass1562.3520089
Topological Polar Surface Area574 Ų
Heavy Atom Count110
Formal Charge0
Complexity3290
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-T031606-01Teicoplanin A3-1
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