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Arylomycin A1

CAT: 0013-GTR19248437-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248437-01Size:50 mg
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Description
Arylomycin A1 is a lipopeptide antibiotic with potent activity against Gram-positive bacteria. It serves as a valuable research tool for studying bacterial signal peptidase inhibition and has demonstrated efficacy in both in vitro assays and in vivo infection models.
CAS Number
459844-19-0
Field of Research
Infectious Disease & Virology
Smiles
N (C (CNC ([C@H] (NC ([C@H] (N (C (CCCCCCCC (C) C) =O) C) CO) =O) C) =O) =O) (C) C1C2=CC (C=3C=C (CC (C (O) =O) NC (=O) [C@H] (C) NC1=O) C=CC3O) =C (O) C=C2
Molecular Formula
C41H58N6O11
Molecular Weight
810.933
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Arylomycin A1

Arylomycin A1 is an oligopeptide.

CAS Number459844-19-0
PubChem CID11083337
IUPAC Name(11S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(9-methyldecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
Molecular FormulaC41H58N6O11
Molecular Weight810.9
XLogP3.4
Topological Polar Surface Area255
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Heavy Atom Count58
Formal Charge0
Complexity1430
SMILES
C[C@H]1C(=O)NC(CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C(C(=O)N1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)N(C)C(=O)CCCCCCCC(C)C)O)C(=O)O
InChI
InChI=1S/C41H58N6O11/c1-23(2)12-10-8-7-9-11-13-34(51)46(5)31(22-48)39(55)43-24(3)37(53)42-21-35(52)47(6)36-27-15-17-33(50)29(20-27)28-18-26(14-16-32(28)49)19-30(41(57)58)45-38(54)25(4)44-40(36)56/h14-18,20,23-25,30-31,36,48-50H,7-13,19,21-22H2,1-6H3,(H,42,53)(H,43,55)(H,44,56)(H,45,54)(H,57,58)/t24-,25+,30?,31-,36?/m1/s1
InChIKey
LNVQPJGJVYGJKF-SBKIGQFHSA-N
Chemical Structure
2D Structure
2D structure of Arylomycin A1
CAS: 459844-19-0
CID: 11083337
Formula: C41H58N6O11
MW: 810.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight810.9
XLogP33.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Exact Mass810.41635669
Monoisotopic Mass810.41635669
Topological Polar Surface Area255 Ų
Heavy Atom Count58
Formal Charge0
Complexity1430
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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