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Antrimycin

CAT: 0013-GTR19199486-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199486-01Size:25 mg
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Description
Antrimycin is a small molecule antibiotic compound for research use. It is employed in both in vitro and in vivo studies to investigate bacterial mechanisms and evaluate antimicrobial activity in various experimental models.
CAS Number
80801-26-9
Smiles
CCC (C) =C (NC (=O) C (C) NC (=O) C1CCC=NN1C (=O) C (NC (=O) C (C) NC (=O) C (N) (CO) CO) C (C) N) C (=O) NC (CO) C (O) =O
Molecular Formula
C28H47N9O11
Molecular Weight
685.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antrimycin

Cirratiomycin B is an oligopeptide.

CAS Number80801-26-9
PubChem CID5481225
IUPAC Name(2S)-2-[[(E)-2-[[(2S)-2-[[(3S)-2-[(2S,3S)-3-amino-2-[[(2S)-2-[[2-amino-3-hydroxy-2-(hydroxymethyl)propanoyl]amino]propanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]propanoyl]amino]-3-methylpent-2-enoyl]amino]-3-hydroxypropanoic acid
Molecular FormulaC28H47N9O11
Molecular Weight685.7
XLogP-7.2
Topological Polar Surface Area328
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count48
Formal Charge0
Complexity1290
SMILES
CC/C(=C(\C(=O)N[C@@H](CO)C(=O)O)/NC(=O)[C@H](C)NC(=O)[C@@H]1CCC=NN1C(=O)[C@H]([C@H](C)N)NC(=O)[C@H](C)NC(=O)C(CO)(CO)N)/C
InChI
InChI=1S/C28H47N9O11/c1-6-13(2)19(24(44)34-17(10-38)26(46)47)35-21(41)15(4)32-23(43)18-8-7-9-31-37(18)25(45)20(14(3)29)36-22(42)16(5)33-27(48)28(30,11-39)12-40/h9,14-18,20,38-40H,6-8,10-12,29-30H2,1-5H3,(H,32,43)(H,33,48)(H,34,44)(H,35,41)(H,36,42)(H,46,47)/b19-13+/t14-,15-,16-,17-,18-,20-/m0/s1
InChIKey
JIGYSKMCUNIKPN-KYVSZOTASA-N
Chemical Structure
2D Structure
2D structure of Antrimycin
CAS: 80801-26-9
CID: 5481225
Formula: C28H47N9O11
MW: 685.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight685.7
XLogP3-7.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass685.33950335
Monoisotopic Mass685.33950335
Topological Polar Surface Area328 Ų
Heavy Atom Count48
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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