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Amythiamicin D

CAT: 0013-GTR19248359-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248359-02Size:50 mg
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Description
Amythiamicin D is a thiopeptide antibiotic with potent activity against Gram-positive bacteria, while showing no efficacy against Gram-negative organisms like E. coli. It serves as a valuable research tool for studying bacterial protein synthesis and exploring novel antibiotic mechanisms in in vitro assays.
CAS Number
156620-46-1
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=2N=C (C=3C (C=4N=C (SC4) C=5N=C (SC5) [C@H] (C (C) C) NC (=O) CNC (=O) C=6N=C ([C@H] (C (C) C) NC (=O) C=7N=C ([C@H] (CC (NC) =O) N1) SC7C) SC6) =NC (=CC3) C8=NC (C (OC) =O) =CS8) SC2
Molecular Formula
C43H42N12O7S6
Molecular Weight
1031.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amythiamicin D

Amythiamicin D is a keratan 6'-sulfate and an azamacrocycle.

CAS Number156620-46-1
PubChem CID198793
IUPAC Namemethyl 2-[21-methyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25,35-di(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazole-4-carboxylate
Molecular FormulaC43H42N12O7S6
Molecular Weight1031.3
XLogP5.2
Topological Polar Surface Area431
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Heavy Atom Count68
Formal Charge0
Complexity1850
SMILES
CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C(=O)OC)C8=NC(=CS8)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C
InChI
InChI=1S/C43H42N12O7S6/c1-17(2)30-41-51-26(15-67-41)39-48-23(12-64-39)33-20(8-9-21(46-33)38-52-27(16-65-38)43(61)62-7)37-49-25(14-63-37)35(59)47-22(10-28(56)44-6)40-55-32(19(5)68-40)36(60)54-31(18(3)4)42-50-24(13-66-42)34(58)45-11-29(57)53-30/h8-9,12-18,22,30-31H,10-11H2,1-7H3,(H,44,56)(H,45,58)(H,47,59)(H,53,57)(H,54,60)
InChIKey
CEKXFMGPQFBJOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amythiamicin D
CAS: 156620-46-1
CID: 198793
Formula: C43H42N12O7S6
MW: 1031.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1031.3
XLogP35.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count20
Rotatable Bond Count7
Exact Mass1030.16236877
Monoisotopic Mass1030.16236877
Topological Polar Surface Area431 Ų
Heavy Atom Count68
Formal Charge0
Complexity1850
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N13885Amythiamicin A
MBS5774823Amythiamicin B
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