Alazopeptin

CAT: 0013-GTR19198276-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19198276-02Size:50 mg

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Description

Alazopeptin

CAS Number

1397-84-8

Smiles

OC (=O) C (CCC (=O) C=[N+]=[N-]) NC (=O) C (CCC (=O) C=[N+]=[N-]) NCC=C

Molecular Formula

C15H20N6O5

Molecular Weight

364.362

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Alazopeptin

Alazopeptin is a dipeptide.

CAS Number	1397-84-8
PubChem CID	121447
IUPAC Name	6-diazo-2-[[6-diazo-5-oxo-2-(prop-2-enylamino)hexanoyl]amino]-5-oxohexanoic acid
Molecular Formula	C15H20N6O5
Molecular Weight	364.36
XLogP	-2.8
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	14
Heavy Atom Count	26
Formal Charge	0
Complexity	649

SMILES

C=CCNC(CCC(=O)C=[N+]=[N-])C(=O)NC(CCC(=O)C=[N+]=[N-])C(=O)O

InChI

InChI=1S/C15H20N6O5/c1-2-7-18-12(5-3-10(22)8-19-16)14(24)21-13(15(25)26)6-4-11(23)9-20-17/h2,8-9,12-13,18H,1,3-7H2,(H,21,24)(H,25,26)

InChIKey

LYUGICBKRYXVHJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1397-84-8

CID: 121447

Formula: C15H20N6O5

MW: 364.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	364.36
XLogP3	-2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	14
Exact Mass	364.14951776
Monoisotopic Mass	364.14951776
Topological Polar Surface Area	117 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	649
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T26587-01	Alazopeptin
MBS5773471	Alazopeptin monohydrate