Chemical Components in the PDB

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QXV : Summary

Code

QXV

One-letter code

X

Molecule name

D-methioninamide

Systematic names

ProgramVersionName
ACDLabs 12.01 D-methioninamide
OpenEye OEToolkits 2.0.7 (2~{R})-2-azanyl-4-methylsulfanyl-butanamide

Formula

C5 H12 N2 O S

Formal charge

0

Molecular weight

148.227 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(C(N)=O)CCSC
SMILES CACTVS 3.385 CSCC[CH](N)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CSCCC(C(=O)N)N
Canonical SMILES CACTVS 3.385 CSCC[C@@H](N)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CSCC[C@H](C(=O)N)N

IUPAC InChI

InChI=1S/C5H12N2OS/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m1/s1

IUPAC InChI key

GSYTVXOARWSQSV-SCSAIBSYSA-N
QXV

wwPDB Information

Atom count

21 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

D-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2020-01-13

Last modified at

2020-02-21

Status

Released

Obsoleted

Not Assigned