4IN

4-AMINO-L-TRYPTOPHAN

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

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3 entries where 4IN is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	10

2D diagram of 4IN

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Chemical Component Summary
Name	4-AMINO-L-TRYPTOPHAN
Synonyms	2-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
Formula	C₁₁ H₁₃ N₃ O₂
Molecular Weight	219.24
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)Cc2c1c(cccc1nc2)N
SMILES	CACTVS	3.370	N[CH](Cc1c[nH]c2cccc(N)c12)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)N
Canonical SMILES	CACTVS	3.370	N[C@@H](Cc1c[nH]c2cccc(N)c12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)N
InChI	InChI	1.03	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
InChIKey	InChI	1.03	JUDQOTGDEFNIKF-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank ID	DB02286
Name	2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid
Groups	experimental
Synonyms	2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid

Related Resource References

Resource Name	Reference
PubChem	17753790

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