NEP

N1-PHOSPHONOHISTIDINE

Created:	1999-07-26
Last modified:	2024-09-27

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64 entries where NEP is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	5

2D diagram of NEP

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Chemical Component Summary
Name	N1-PHOSPHONOHISTIDINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(1-phosphonoimidazol-4-yl)propanoic acid
Formula	C₆ H₁₀ N₃ O₅ P
Molecular Weight	235.134
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)n1cc(nc1)CC(C(=O)O)N
SMILES	CACTVS	3.341	N[CH](Cc1cn(cn1)[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1c(ncn1P(=O)(O)O)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1cn(cn1)[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(ncn1P(=O)(O)O)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1
InChIKey	InChI	1.03	MOYPZVWCTBPWEH-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	15458486

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