Products for Research Use Only
RegisterLogin

GGTI298

CAT: 0607-BA3165-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA3165-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
180977-44-0
Form
A solid
Molecular Formula
C27H33N3O3S
Molecular Weight
479.63
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ggti-298

(2S)-2-[[[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester is a leucine derivative.

CAS Number180977-44-0
PubChem CID9811606
IUPAC Namemethyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate
Molecular FormulaC27H33N3O3S
Molecular Weight479.6
XLogP5.1
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity661
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C27H33N3O3S/c1-17(2)13-25(27(32)33-3)30-26(31)23-12-11-20(29-15-19(28)16-34)14-24(23)22-10-6-8-18-7-4-5-9-21(18)22/h4-12,14,17,19,25,29,34H,13,15-16,28H2,1-3H3,(H,30,31)/t19-,25+/m1/s1
InChIKey
XVWPFYDMUFBHBF-CLOONOSVSA-N
Chemical Structure
2D Structure
2D structure of Ggti-298
CAS: 180977-44-0
CID: 9811606
Formula: C27H33N3O3S
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass479.22426310
Monoisotopic Mass479.22426310
Topological Polar Surface Area94.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity661
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

Alternative Products

CatalogName
T11397-01GGTI298
T6844-01GGTI298 Trifluoroacetate
A20418-50GGTI298 50mg
A20418-10GGTI298 10mg
HY-15871-01GGTI298 (Trifluoroacetate)
A20418-25GGTI298 25mg
A20418-1GGTI298 1mg
A20418-5GGTI298 5mg
A16560-50GGTI298 Trifluoroacetate 50mg
A16560-25GGTI298 Trifluoroacetate 25mg

Popular Products