Arylomycin A4

CAT: 0931-TN9016-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN9016-02Size:50 mg

Selected

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

Quick Request Actions

CAS Number

459844-22-5

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Arylomycin A4 is a lipopeptide antibiotic (antibiotic) effective against Gram-positive bacteria.

Smiles

OC1=C2C=3C=C(C[C@@H](C(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N(C(CNC([C@H](NC([C@H](N(C(CCCCCCCCC(CC)C)=O)C)CO)=O)C)=O)=O)C)C(=C2)C=C1)C=CC3O

Molecular Formula

C43H62N6O11

Molecular Weight

838.986

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Arylomycin A4

Arylomycin A4 is an oligopeptide.

CAS Number	459844-22-5
PubChem CID	10985703
IUPAC Name	(11S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(10-methyldodecanoyl)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 Formula	C43H62N6O11
Molecular Weight	839.0
XLogP	4.5
Topological Polar Surface Area	255
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Heavy Atom Count	60
Formal Charge	0
Complexity	1470

SMILES

CCC(C)CCCCCCCCC(=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/C43H62N6O11/c1-7-25(2)14-12-10-8-9-11-13-15-36(53)48(5)33(24-50)41(57)45-26(3)39(55)44-23-37(54)49(6)38-29-17-19-35(52)31(22-29)30-20-28(16-18-34(30)51)21-32(43(59)60)47-40(56)27(4)46-42(38)58/h16-20,22,25-27,32-33,38,50-52H,7-15,21,23-24H2,1-6H3,(H,44,55)(H,45,57)(H,46,58)(H,47,56)(H,59,60)/t25?,26-,27+,32?,33-,38?/m1/s1

InChIKey

YGPDJLNYORNORK-QAZUVEQBSA-N

Chemical Structure

2D Structure

CAS: 459844-22-5

CID: 10985703

Formula: C43H62N6O11

MW: 839.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	839.0
XLogP3	4.5
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Exact Mass	838.44765682
Monoisotopic Mass	838.44765682
Topological Polar Surface Area	255 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1470
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TN9059-01	Arylomycin B3
TN9097-01	Arylomycin A1
TN9119-01	Arylomycin A3
TN9095-01	Arylomycin B1
TN9085-01	Arylomycin B6
TN9076-01	Arylomycin B4
TN9045-01	Arylomycin B5
T76448-01	Arylomycin A2
TN9174-01	Arylomycin B7
TN9046-01	Arylomycin A5

Alternative Products

Catalog	Name
HY-N13987	Arylomycin B7
HY-N13972	Arylomycin B1
GTR19248526-01	Arylomycin A4
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 A4

Chemical Information

Related Products

Alternative Products

Popular Products