Arylomycin A3

CAT: 0931-TN9119-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN9119-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

459844-21-4

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Arylomycin A3 is a lipopeptide antibiotic (antibiotic) effective against Gram-positive bacteria.

Smiles

N(C(CNC([C@H](NC([C@H](N(C(CCCCCCCCCCC)=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

C42H60N6O11

Molecular Weight

824.959

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Arylomycin A3

Arylomycin A3 is an oligopeptide.

CAS Number	459844-21-4
PubChem CID	10963907
IUPAC Name	(11S)-14-[[2-[[(2R)-2-[[(2R)-2-[dodecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3,18-dihydroxy-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 Formula	C42H60N6O11
Molecular Weight	825.0
XLogP	4.2
Topological Polar Surface Area	255
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Heavy Atom Count	59
Formal Charge	0
Complexity	1430

SMILES

CCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)C1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC(NC(=O)[C@@H](NC1=O)C)C(=O)O)O

InChI

InChI=1S/C42H60N6O11/c1-6-7-8-9-10-11-12-13-14-15-35(52)47(4)32(24-49)40(56)44-25(2)38(54)43-23-36(53)48(5)37-28-17-19-34(51)30(22-28)29-20-27(16-18-33(29)50)21-31(42(58)59)46-39(55)26(3)45-41(37)57/h16-20,22,25-26,31-32,37,49-51H,6-15,21,23-24H2,1-5H3,(H,43,54)(H,44,56)(H,45,57)(H,46,55)(H,58,59)/t25-,26+,31?,32-,37?/m1/s1

InChIKey

QAHUKEDKLUUKAN-GYPJZMARSA-N

Chemical Structure

2D Structure

CAS: 459844-21-4

CID: 10963907

Formula: C42H60N6O11

MW: 825.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	825.0
XLogP3	4.2
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Exact Mass	824.43200675
Monoisotopic Mass	824.43200675
Topological Polar Surface Area	255 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1430
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-N13987	Arylomycin B7
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HY-P3884-01	Arylomycin A2
HY-N13985	Arylomycin B6
GTR19248527-01	Arylomycin B2
GTR19248494-01	Arylomycin B5
GTR19248493-01	Arylomycin A5
GTR19248478-01	Arylomycin B3
GTR19248460-01	Arylomycin B4

Arylomycin A3

Chemical Information

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