YC3

3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine

Created:	2023-01-23
Last modified:	2024-10-16

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2 entries where YC3 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	12

2D diagram of YC3

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Chemical Component Summary
Name	3-[2-(sulfanylmethyl)phenyl]-L-phenylalanine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-[3-[2-(sulfanylmethyl)phenyl]phenyl]propanoic acid
Formula	C₁₆ H₁₇ N O₂ S
Molecular Weight	287.377
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	SCc1ccccc1c1cccc(CC(N)C(=O)O)c1
SMILES	CACTVS	3.385	N[CH](Cc1cccc(c1)c2ccccc2CS)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CS)c2cccc(c2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1cccc(c1)c2ccccc2CS)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CS)c2cccc(c2)C[C@@H](C(=O)O)N
InChI	InChI	1.06	InChI=1S/C16H17NO2S/c17-15(16(18)19)9-11-4-3-6-12(8-11)14-7-2-1-5-13(14)10-20/h1-8,15,20H,9-10,17H2,(H,18,19)/t15-/m0/s1
InChIKey	InChI	1.06	NBALBHDXCXZFNI-HNNXBMFYSA-N

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