Chemical Components in the PDB

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CYG : Summary

Code

CYG

One-letter code

C

Molecule name

2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-BUTYRIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-5-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-oxopentanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-5-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-5-oxo-pentanoic acid

Formula

C8 H14 N2 O5 S

Formal charge

0

Molecular weight

250.272 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CSC(=O)CCC(C(=O)O)N
SMILES CACTVS 3.341 N[CH](CCC(=O)SC[CH](N)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)SCC(C(=O)O)N)C(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCC(=O)SC[C@H](N)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)16-3-5(10)8(14)15/h4-5H,1-3,9-10H2,(H,12,13)(H,14,15)/t4-,5-/m0/s1

IUPAC InChI key

WYPPJURMNVTTGD-WHFBIAKZSA-N
CYG

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

1999-07-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned