6CV

3-bromo-L-phenylalanine

Created:	2016-03-15
Last modified:	2024-09-27

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1 entries where 6CV is found as a standalone ligand1 entries where 6CV is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	6

2D diagram of 6CV

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Chemical Component Summary
Name	3-bromo-L-phenylalanine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(3-bromophenyl)propanoic acid
Formula	C₉ H₁₀ Br N O₂
Molecular Weight	244.085
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1cccc(CC(N)C(O)=O)c1
SMILES	CACTVS	3.385	N[CH](Cc1cccc(Br)c1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)Br)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1cccc(Br)c1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1cc(cc(c1)Br)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey	InChI	1.03	GDMOHOYNMWWBAU-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	7047038, 2762259
ChEMBL	CHEMBL3809682

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