5CS

2-AMINO-3-(CYSTEIN-S-YL)-ISOXAZOLIDIN-5-YL-ACETIC ACID

Created:	2003-04-10
Last modified:	2024-09-27

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3 entries where 5CS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	32
Aromatic Bond Count	0

2D diagram of 5CS

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Chemical Component Summary
Name	2-AMINO-3-(CYSTEIN-S-YL)-ISOXAZOLIDIN-5-YL-ACETIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-[[(3R)-5-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid
Formula	C₈ H₁₅ N₃ O₅ S
Molecular Weight	265.287
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C1ONC(SCC(N)C(=O)O)C1
SMILES	CACTVS	3.341	N[CH](CS[CH]1C[CH](ON1)[CH](N)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(ONC1SCC(C(=O)O)N)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CS[C@@H]1C[C@@H](ON1)[C@H](N)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H15N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h3-6,11H,1-2,9-10H2,(H,12,13)(H,14,15)/t3-,4+,5+,6-/m0/s1
InChIKey	InChI	1.03	YLODKYYPRFTBNK-KCDKBNATSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB04323
Name	2-Amino-3-(Cystein-S-Yl)-Isoxazolidin-5-Yl-Acetic Acid
Groups	experimental
Synonyms	2-Amino-3-(Cystein-S-Yl)-Isoxazolidin-5-Yl-Acetic Acid

Related Resource References

Resource Name	Reference
PubChem	17753793

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.