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Etamycin A

CAT: 0013-GTR19255954-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255954-01Size:10 mg
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Description
Etamycin A is an ester peptide antibiotic, primarily exhibiting resistance to Gram-positive bacteria and mycobacteria.
CAS Number
299-20-7
Field of Research
Infectious Disease & Virology
Smiles
O=C1N2[C@] (C[C@@H] (O) C2) (C (=O) N (C) CC (=O) N (C) [C@@] ([C@H] (C (C) C) C) (C (=O) N[C@@H] (C) C (=O) N (C) [C@H] (C (=O) O[C@H] (C) [C@H] (NC (=O) C3=C (O) C=CC=N3) C (=O) N[C@@H]1CC (C) C) C4=CC=CC=C4) [H]) [H]
Molecular Formula
C44H62N8O11
Molecular Weight
879.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Etamycin

Etamycin has been reported in Streptomyces griseoviridis with data available.

CAS Number299-20-7
PubChem CID91865074
IUPAC Name3-hydroxy-N-[(3R,6S,7R,10S,13S,16S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2S)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
Molecular FormulaC44H62N8O11
Molecular Weight879.0
XLogP3.2
Topological Polar Surface Area248
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count63
Formal Charge0
Complexity1670
SMILES
C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@@H]2C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C3=CC=CC=C3)C)C)[C@@H](C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O
InChI
InChI=1S/C44H62N8O11/c1-23(2)19-30-42(60)52-21-29(53)20-31(52)43(61)49(8)22-33(55)50(9)36(25(5)24(3)4)40(58)46-26(6)41(59)51(10)37(28-15-12-11-13-16-28)44(62)63-27(7)34(38(56)47-30)48-39(57)35-32(54)17-14-18-45-35/h11-18,23-27,29-31,34,36-37,53-54H,19-22H2,1-10H3,(H,46,58)(H,47,56)(H,48,57)/t25-,26-,27+,29+,30+,31+,34-,36-,37-/m0/s1
InChIKey
SATIISJKSAELDC-ZIOPZPSVSA-N
Chemical Structure
2D Structure
2D structure of Etamycin
CAS: 299-20-7
CID: 91865074
Formula: C44H62N8O11
MW: 879.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight879.0
XLogP33.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass878.45380482
Monoisotopic Mass878.45380482
Topological Polar Surface Area248 Ų
Heavy Atom Count63
Formal Charge0
Complexity1670
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W748035Etamycin A

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