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Dansyl-Gly-Trp

CAT: 0024-sc-214842Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-214842Size:25 mg
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CAS Number
19461-22-4

Chemical Information

(N-(5-Dimethylaminonaphthalene-1-sulphonyl)glycyl)tryptophan
CAS Number19461-22-4
PubChem CID88077
IUPAC Name(2S)-2-[[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular FormulaC25H26N4O5S
Molecular Weight494.6
XLogP3.3
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity860
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O
InChI
InChI=1S/C25H26N4O5S/c1-29(2)22-11-5-9-19-18(22)8-6-12-23(19)35(33,34)27-15-24(30)28-21(25(31)32)13-16-14-26-20-10-4-3-7-17(16)20/h3-12,14,21,26-27H,13,15H2,1-2H3,(H,28,30)(H,31,32)/t21-/m0/s1
InChIKey
IXTSSRFZPQPHIE-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of (N-(5-Dimethylaminonaphthalene-1-sulphonyl)glycyl)tryptophan
CAS: 19461-22-4
CID: 88077
Formula: C25H26N4O5S
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass494.16239112
Monoisotopic Mass494.16239112
Topological Polar Surface Area140 Ų
Heavy Atom Count35
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes