Moiramide B

CAT: 0127-BUP02244-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02244-03Size:50 mg

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CAS Number

155233-31-1

Purity

=98%

Smiles

C([C@@H](NC(C[C@H](NC(/C=C/C=C/C)=O)C1=CC=CC=C1)=O)[C@@H](C)C)(=O)[C@H]2[C@H](C)C(=O)NC2=O

Chemical Information

Moiramide B

Moiramide B is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.

CAS Number	155233-31-1
PubChem CID	11744644
IUPAC Name	(2E,4E)-N-[(1S)-3-[[(2S)-3-methyl-1-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-1-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl]hexa-2,4-dienamide
Molecular Formula	C25H31N3O5
Molecular Weight	453.5
XLogP	2.4
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	33
Formal Charge	0
Complexity	811

SMILES

C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)C2=CC=CC=C2

InChI

InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1

InChIKey

WMLLJSBRSSYYPT-PQUJRENYSA-N

Chemical Structure

2D Structure

CAS: 155233-31-1

CID: 11744644

Formula: C25H31N3O5

MW: 453.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	453.5
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	453.22637110
Monoisotopic Mass	453.22637110
Topological Polar Surface Area	121 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	811
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-16943	Moiramide B
AR-M05011-01	Moiramide B-d8

Moiramide B

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