TRQ

2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

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43 entries where TRQ is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	5

2D diagram of TRQ

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Chemical Component Summary
Name	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(6,7-dioxo-1H-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₀ N₂ O₄
Molecular Weight	234.208
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2
SMILES	CACTVS	3.341	N[CH](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1c(c2c([nH]1)C(=O)C(=O)C=C2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1
InChIKey	InChI	1.03	QNXHRZBZDHLGQO-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	49867757

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