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A-357300

CAT: 0013-GTR19210563-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210563-02Size:50 mg
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Description
A-357300
CAS Number
369358-07-6
Smiles
C (NNC ([C@H] ([C@@H] (CCSC (C) C) N) O) =O) (=O) C1=CC (Cl) =CC=C1
Molecular Formula
C15H22ClN3O3S
Molecular Weight
359.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A-357300

a tumor suppressor & reversible inhibitor of methionine aminopeptidase-2; structure in first source

CAS Number369358-07-6
PubChem CID448285
IUPAC NameN'-[(2S,3R)-3-amino-2-hydroxy-5-propan-2-ylsulfanylpentanoyl]-3-chlorobenzohydrazide
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.9
XLogP1.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)Cl)O)N
InChI
InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1
InChIKey
BYBVYIPUGPZRSX-OLZOCXBDSA-N
Chemical Structure
2D Structure
2D structure of A-357300
CAS: 369358-07-6
CID: 448285
Formula: C15H22ClN3O3S
MW: 359.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.9
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass359.1070404
Monoisotopic Mass359.1070404
Topological Polar Surface Area130 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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