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Bestim

CAT: 0127-BUP08005-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08005-03Size:25 mg
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CAS Number
66471-20-3
Purity
=98%
Smiles
C([C@H](NC(CC[C@@H](C(O)=O)N)=O)C(O)=O)C=1C=2C(NC1)=CC=CC2

Chemical Information

Bestim

Gamma-Glu-Trp is a glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of tryptophan. It is a conjugate acid of a gamma-Glu-Trp(1-).

CAS Number66471-20-3
PubChem CID3038501
IUPAC Name(2S)-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-/m0/s1
InChIKey
CATMPQFFVNKDEY-AAEUAGOBSA-N
Chemical Structure
2D Structure
2D structure of Bestim
CAS: 66471-20-3
CID: 3038501
Formula: C16H19N3O5
MW: 333.34
Interactive 3D Structure
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View on PubChemRaw 3D data
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

Alternative Products

CatalogName
HY-122357-01Bestim

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