ESC

2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID

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

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

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of ESC

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Chemical Component Summary
Name	2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-ethylsulfanyl-butanoic acid
Formula	C₆ H₁₃ N O₂ S
Molecular Weight	163.238
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CCSCC
SMILES	CACTVS	3.341	CCSCC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCSCCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	CCSCC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCSCC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey	InChI	1.03	GGLZPLKKBSSKCX-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	25674, 6992071
ChEMBL	CHEMBL203187
ChEBI	CHEBI:4886

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