Pacidamycin 4

CAT: 0013-GTR19255332-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19255332-02Size:10 mg

Selected

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

Quick Request Actions

Description

Pacidamycin 4 exhibits inhibitory effects against Pseudomonas aeruginosa. Additionally, it is effective against certain strains of Staphylococcus pyogenes and Escherichia coli. Its antibacterial activity is reduced in the presence of serum and is also influenced by pH levels.

CAS Number

121808-60-4

Field of Research

Infectious Disease & Virology

Smiles

C ([C@H] (NC (N[C@H] (C (N[C@@H] ([C@@H] (N (C ([C@H] (CC1=CC (O) =CC=C1) N) =O) C) C) C (N/C=C/2\O[C@H] ([C@H] (O) C2) N3C (=O) NC (=O) C=C3) =O) =O) C) =O) C (O) =O) C=4C=5C (NC4) =CC=CC5

Molecular Formula

C38H45N9O11

Molecular Weight

803.82

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Pacidamycin 4

Pacidamycin 4 is a dipeptide.

CAS Number	121808-60-4
PubChem CID	134842971
IUPAC Name	(2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-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	C38H45N9O11
Molecular Weight	803.8
XLogP	-2.7
Topological Polar Surface Area	298
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	15
Heavy Atom Count	58
Formal Charge	0
Complexity	1630

SMILES

C[C@@H]([C@@H](C(=O)N/C=C\1/C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](C)NC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)N(C)C(=O)[C@H](CC5=CC(=CC=C5)O)N

InChI

InChI=1S/C38H45N9O11/c1-19(42-37(56)43-28(36(54)55)15-22-17-40-27-10-5-4-9-25(22)27)32(51)45-31(20(2)46(3)34(53)26(39)14-21-7-6-8-23(48)13-21)33(52)41-18-24-16-29(49)35(58-24)47-12-11-30(50)44-38(47)57/h4-13,17-20,26,28-29,31,35,40,48-49H,14-16,39H2,1-3H3,(H,41,52)(H,45,51)(H,54,55)(H2,42,43,56)(H,44,50,57)/b24-18-/t19-,20-,26-,28-,29+,31-,35+/m0/s1

InChIKey

FMKAVCDWVHHMCG-LONUBGAWSA-N

Chemical Structure

2D Structure

CAS: 121808-60-4

CID: 134842971

Formula: C38H45N9O11

MW: 803.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	803.8
XLogP3	-2.7
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	15
Exact Mass	803.32385329
Monoisotopic Mass	803.32385329
Topological Polar Surface Area	298 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1630
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19255826-01	Pacidamycin 5
GTR19255591-01	Pacidamycin 7
GTR19254713-01	Pacidamycin D
GTR19224326	Pacidamycin I
GTR19256106-01	Pacidamycin 3
GTR19255411-01	Pacidamycin 6
GTR19255329-01	Pacidamycin 4N
GTR19255721-01	Pacidamycin 2
GTR19255522-01	Pacidamycin 5T
GTR19198782-01	Pactamycin

Alternative Products

Catalog	Name
HY-N14521	Pacidamycin 5T
HY-N14519	Pacidamycin 7
HY-N14518	Pacidamycin 6
TN9934-01	Pacidamycin D
HY-N14606	Pacidamycin 3
HY-N14520	Pacidamycin 4N
TN11016-01	Pacidamycin 4
HY-N14607	Pacidamycin 5
HY-N14588	Pacidamycin 2
HY-129269	Pacidamycin I

Pacidamycin 4

Chemical Information

Related Products

Alternative Products

Popular Products