Pacidamycin D

CAT: 0931-TN9934-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN9934-02Size:50 mg

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CAS Number

287107-95-3

Target

Antibiotic, Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Pacidamycin D is an antibiotic of the Pacidamycin class, demonstrating activity against Pseudomonas aeruginosa with a minimum inhibitory concentration (MIC) of 4-16 μg/mL. It shows no efficacy against other Gram-negative or Gram-positive bacteria, nor does it affect drug-resistant strains of Pseudomonas aeruginosa.

Smiles

C([C@H](NC(N[C@H](C(N[C@H](C(N/C=C/1\O[C@H]([C@H](O)C1)N2C(=O)NC(=O)C=C2)=O)[C@@H](N(C([C@H](C)N)=O)C)C)=O)C)=O)C(O)=O)C=3C=4C(NC3)=CC=CC4

Molecular Formula

C32H41N9O10

Molecular Weight

711.722

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pacidamycin D

Pacidamycin D is a dipeptide.

CAS Number	287107-95-3
PubChem CID	9940029
IUPAC Name	2-[[1-[[3-[2-aminopropanoyl(methyl)amino]-1-[[(Z)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Molecular Formula	C32H41N9O10
Molecular Weight	711.7
XLogP	-4
Topological Polar Surface Area	278
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	13
Heavy Atom Count	51
Formal Charge	0
Complexity	1440

SMILES

CC(C(C(=O)N/C=C\1/CC(C(O1)N2C=CC(=O)NC2=O)O)NC(=O)C(C)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)N(C)C(=O)C(C)N

InChI

InChI=1S/C32H41N9O10/c1-15(33)28(46)40(4)17(3)25(27(45)35-14-19-12-23(42)29(51-19)41-10-9-24(43)38-32(41)50)39-26(44)16(2)36-31(49)37-22(30(47)48)11-18-13-34-21-8-6-5-7-20(18)21/h5-10,13-17,22-23,25,29,34,42H,11-12,33H2,1-4H3,(H,35,45)(H,39,44)(H,47,48)(H2,36,37,49)(H,38,43,50)/b19-14-

InChIKey

PBFVZISIBPPZNE-RGEXLXHISA-N

Chemical Structure

2D Structure

CAS: 287107-95-3

CID: 9940029

Formula: C32H41N9O10

MW: 711.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	711.7
XLogP3	-4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	13
Exact Mass	711.29763854
Monoisotopic Mass	711.29763854
Topological Polar Surface Area	278 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1440
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-N14521	Pacidamycin 5T
HY-N14519	Pacidamycin 7
HY-N14518	Pacidamycin 6
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GTR19255826-01	Pacidamycin 5
HY-N14606	Pacidamycin 3
HY-N14520	Pacidamycin 4N
GTR19224326	Pacidamycin I
HY-N14588	Pacidamycin 2
HY-N14517	Pacidamycin 4

Pacidamycin D

Chemical Information

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