Crocacin D

CAT: 0013-GTR19256220-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19256220-02Size:50 mg

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Description

Crocacin D exhibits activity against yeast and filamentous fungi. It inhibits L929 murine fibroblasts. In calf heart microsomes, Crocacin D can block electron transfer at the bc1 segment, resulting in a red shift of the cytochrome B reduced spectrum peak at 569nm.

CAS Number

237425-39-7

Field of Research

Infectious Disease & Virology

Smiles

[C@@H] ([C@@H] ([C@H] (/C=C/C1=CC=CC=C1) OC) C) ([C@H] (/C=C/C (=C/C (N/C=C\CCCC (NCC (OC) =O) =O) =O) /C) C) OC

Molecular Formula

C31H44N2O6

Molecular Weight

540.691

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Crocacin D

Crocacin D is a N-acyl-amino acid.

CAS Number	237425-39-7
PubChem CID	10530498
IUPAC Name	methyl 2-[[(Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoyl]amino]hex-5-enoyl]amino]acetate
Molecular Formula	C31H44N2O6
Molecular Weight	540.7
XLogP	4.7
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	18
Heavy Atom Count	39
Formal Charge	0
Complexity	857

SMILES

C[C@@H](/C=C/C(=C/C(=O)N/C=C\CCCC(=O)NCC(=O)OC)/C)[C@@H]([C@H](C)[C@H](/C=C/C1=CC=CC=C1)OC)OC

InChI

InChI=1S/C31H44N2O6/c1-23(21-29(35)32-20-12-8-11-15-28(34)33-22-30(36)38-5)16-17-24(2)31(39-6)25(3)27(37-4)19-18-26-13-9-7-10-14-26/h7,9-10,12-14,16-21,24-25,27,31H,8,11,15,22H2,1-6H3,(H,32,35)(H,33,34)/b17-16+,19-18+,20-12-,23-21+/t24-,25+,27-,31-/m0/s1

InChIKey

YIOSSWUAQNGRSJ-NRHCNNMKSA-N

Chemical Structure

2D Structure

CAS: 237425-39-7

CID: 10530498

Formula: C31H44N2O6

MW: 540.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	540.7
XLogP3	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	18
Exact Mass	540.31993713
Monoisotopic Mass	540.31993713
Topological Polar Surface Area	103 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	857
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19255642-01	Crocacin B
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GTR19068292-01	D-D-D-D-D
GTR18896375-01	D-D-D-D-D-D peptide
GTR18896374-01	D-D-D-D-D peptide
GTR19036094-01	(D-Arg1, D-Pro2, D-Phe7, D-His9) -Substance P
GTR19035915-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
GTR19068288-01	[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P

Alternative Products

Catalog	Name
HY-N14038	Crocacin A
HY-N14044	Crocacin D
HY-N14043	Crocacin C
HY-N14040	Crocacin B

Crocacin D

Chemical Information

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