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Summary Geometry Related PDB entries

5CS

Summary

Name:	2-AMINO-3-(CYSTEIN-S-YL)-ISOXAZOLIDIN-5-YL-ACETIC ACID
Formula:	C8 H15 N3 O5 S
Formal charge:	0
Formula weight:	265.287 Da
Component type:	L-PEPTIDE LINKING

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	S-{(3R,5R)-5-[(S)-amino(carboxy)methyl]isoxazolidin-3-yl}-L-cysteine
OpenEye OEToolkits	1.5.0	(2R)-2-amino-3-[[(3R)-5-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]-1,2-oxazolidin-3-yl]sulfanyl]propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)C1ONC(SCC(N)C(=O)O)C1
SMILES_CANONICAL	CACTVS	3.341	N[C@@H](CS[C@@H]1C[C@@H](ON1)[C@H](N)C(O)=O)C(O)=O
SMILES	CACTVS	3.341	N[CH](CS[CH]1C[CH](ON1)[CH](N)C(O)=O)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C1C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
SMILES	OpenEye OEToolkits	1.5.0	C1C(ONC1SCC(C(=O)O)N)C(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

248636

PDB entries from 2026-02-04

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