PAT

ALPHA-PHOSPHONO-TRYPTOPHAN

Created:	2001-03-12
Last modified:	2024-09-27

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1 entries where PAT is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	10

2D diagram of PAT

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Chemical Component Summary
Name	ALPHA-PHOSPHONO-TRYPTOPHAN
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-(1H-indol-3-yl)-2-phosphono-propanoic acid
Formula	C₁₁ H₁₃ N₂ O₅ P
Molecular Weight	284.205
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
SMILES	CACTVS	3.341	N[C](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)(N)P(=O)(O)O
Canonical SMILES	CACTVS	3.341	N[C@@](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@](C(=O)O)(N)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)
InChIKey	InChI	1.03	QNAXJEGUCRQKDR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49867474

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