B3Y

(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID

Created:	2007-02-28
Last modified:	2024-09-27

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5 entries where B3Y is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	6

2D diagram of B3Y

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Chemical Component Summary
Name	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID
Systematic Name (OpenEye OEToolkits)	(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid
Formula	C₁₀ H₁₃ N O₃
Molecular Weight	195.215
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC(N)Cc1ccc(O)cc1
SMILES	CACTVS	3.341	N[CH](CC(O)=O)Cc1ccc(O)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(CC(=O)O)N)O
Canonical SMILES	CACTVS	3.341	N[C@H](CC(O)=O)Cc1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[C@@H](CC(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
InChIKey	InChI	1.03	VUNPIAMEJXBAFP-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	7010023, 2761554

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