Ianthelliformisamine C TFA

CAT: 0931-T27571-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T27571-01Size:100 mg

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

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CAS Number

1643593-30-9

Target

Others, Antibacterial

Related Pathways

Microbiology/Virology, Others

Bioactivity

Ianthelliformisamine C TFA, an antibiotic enhancer, is used to against resistant Gram-negative bacteria.

Smiles

OC(C(F)(F)F)=O.BrC(C=C1/C=C/C(NCCCNCCCCNCCCNC(/C=C/C2=CC(Br)=C(C(Br)=C2)OC)=O)=O)=C(C(Br)=C1)OC.OC(C(F)(F)F)=O

Molecular Formula

C34H40Br4F6N4O8

Molecular Weight

1066.31

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ianthelliformisamine C TFA

CAS Number	1643593-30-9
PubChem CID	59051900
IUPAC Name	(E)-3-(3,5-dibromo-4-methoxyphenyl)-N-[3-[4-[3-[[(E)-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enoyl]amino]propylamino]butylamino]propyl]prop-2-enamide;bis(2,2,2-trifluoroacetic acid)
Molecular Formula	C34H40Br4F6N4O8
Molecular Weight	1066.3
Topological Polar Surface Area	175
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Heavy Atom Count	56
Formal Charge	0
Complexity	831

SMILES

COC1=C(C=C(C=C1Br)/C=C/C(=O)NCCCNCCCCNCCCNC(=O)/C=C/C2=CC(=C(C(=C2)Br)OC)Br)Br.C(=O)(O)C(F)(F)F.C(=O)(O)C(F)(F)F

InChI

InChI=1S/C30H38Br4N4O4.2C2HF3O2/c1-41-29-23(31)17-21(18-24(29)32)7-9-27(39)37-15-5-13-35-11-3-4-12-36-14-6-16-38-28(40)10-8-22-19-25(33)30(42-2)26(34)20-22;2*3-2(4,5)1(6)7/h7-10,17-20,35-36H,3-6,11-16H2,1-2H3,(H,37,39)(H,38,40);2*(H,6,7)/b9-7+,10-8+;;

InChIKey

ITGKGTPPRJVLIB-QZKABRJGSA-N

Chemical Structure

2D Structure

CAS: 1643593-30-9

CID: 59051900

Formula: C34H40Br4F6N4O8

MW: 1066.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1066.3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	19
Exact Mass	1065.94428
Monoisotopic Mass	1061.94838
Topological Polar Surface Area	175 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	831
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T27569-01	Ianthelliformisamine A TFA
T27570-01	Ianthelliformisamine B TFA
TP3945-01	C-telopeptide TFA
T30776-01	C-Ceritinib TFA salt
T201168-01	C (avb6) -DOTA TFA
TP2311-01	C-MYC PEPTIDE EPITOPE TFA
T76388-01	Protein kinase C α peptide TFA
T83750	Melittin (C-Term Cysteine labeled) TFA
T76008-01	Protein Kinase C (19-31) (TFA)
T73720-01	C (phg-isoDGR- (NMe) k) TFA

Alternative Products

Catalog	Name
GTR19224365-01	Ianthelliformisamine A TFA
HY-130280	Ianthelliformisamine A (TFA)
HY-130282	Ianthelliformisamine C (ditrifluoroacetate)
GTR19224364-01	Ianthelliformisamine B TFA
MBS5777281	Ianthelliformisamine C TFA
HY-130281	Ianthelliformisamine B (diTFA)

Ianthelliformisamine C TFA

Chemical Information

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