4IN

4-AMINO-L-TRYPTOPHAN

Created:2003-04-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count1
Bond Count30
Aromatic Bond Count10
2D diagram of 4IN

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Chemical Component Summary

Name4-AMINO-L-TRYPTOPHAN
Synonyms2-AMINO-3-(4-AMINO-1H-INDOL-3-YL)PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-(4-azanyl-1H-indol-3-yl)propanoic acid
FormulaC11 H13 N3 O2
Molecular Weight219.24
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)Cc2c1c(cccc1nc2)N
SMILESCACTVS3.370N[CH](Cc1c[nH]c2cccc(N)c12)C(O)=O
SMILESOpenEye OEToolkits1.7.2c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)N
Canonical SMILESCACTVS3.370 N[C@@H](Cc1c[nH]c2cccc(N)c12)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.2 c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N
InChIInChI1.03 InChI=1S/C11H13N3O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,12-13H2,(H,15,16)/t8-/m0/s1
InChIKeyInChI1.03 JUDQOTGDEFNIKF-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02286 
Name2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid
Groups experimental
Synonyms2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid

Related Resource References

Resource NameReference
PubChem 17753790