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N-Acetyl-L-Tryptophan

CAT: 1596-AR-T01064-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01064-01Size:10 Units
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CAS Number
132685-02-0
Synonyms
(2S,2'S) -3,3'- (1,1'- (ethane-1,1-diyl) bis (1H-indole-3,1-diyl) ) bis (2-aminopropanoic acid) ; 1,1’-Ethylidenebis[L-tryptophan]
Molecular Formula
C24H26N4O4
Molecular Weight
434.5
API Name
Tadalafil

Chemical Information

1,1'-Ethylidenebis(L-tryptophan)

may be associated with eosinophilla-myalgia syndrome; structure given in first source

CAS Number132685-02-0
PubChem CID107700
IUPAC Name(2S)-2-amino-3-[1-[1-[3-[(2S)-2-amino-2-carboxyethyl]indol-1-yl]ethyl]indol-3-yl]propanoic acid
Molecular FormulaC24H26N4O4
Molecular Weight434.5
XLogP-2.4
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity635
SMILES
CC(N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N)N3C=C(C4=CC=CC=C43)C[C@@H](C(=O)O)N
InChI
InChI=1S/C24H26N4O4/c1-14(27-12-15(10-19(25)23(29)30)17-6-2-4-8-21(17)27)28-13-16(11-20(26)24(31)32)18-7-3-5-9-22(18)28/h2-9,12-14,19-20H,10-11,25-26H2,1H3,(H,29,30)(H,31,32)/t19-,20-/m0/s1
InChIKey
DETVQFQGSVEQBH-PMACEKPBSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-Ethylidenebis(L-tryptophan)
CAS: 132685-02-0
CID: 107700
Formula: C24H26N4O4
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP3-2.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass434.19540532
Monoisotopic Mass434.19540532
Topological Polar Surface Area137 Ų
Heavy Atom Count32
Formal Charge0
Complexity635
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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