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Golotimod

CAT: 0127-BUP02139-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02139-02Size:5 mg
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CAS Number
229305-39-9
Synonyms
Gamma-D-glutamyl-L-tryptophan, SCV 07
Purity
=98%
Smiles
[H][C@@](N)(CCC(=O)N[C@@]([H])(Cc1c[nH]c2ccccc12)C(O)=O)C(O)=O

Chemical Information

Golotimod

Golotimod is a dipeptide.

CAS Number229305-39-9
PubChem CID6992140
IUPAC Name(2R)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
Molecular FormulaC16H19N3O5
Molecular Weight333.34
XLogP-2.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity484
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N
InChI
InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1
InChIKey
CATMPQFFVNKDEY-YPMHNXCESA-N
Chemical Structure
2D Structure
2D structure of Golotimod
CAS: 229305-39-9
CID: 6992140
Formula: C16H19N3O5
MW: 333.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.34
XLogP3-2.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass333.13247072
Monoisotopic Mass333.13247072
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity484
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