Chemical Components in the PDB

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2V0 : Summary

Code

2V0

One-letter code

X

Molecule name

(2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-[(R)-amino(carboxy)methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
OpenEye OEToolkits 1.7.6 (2R)-2-[(1R)-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Formula

C8 H12 N2 O4 S

Formal charge

0

Molecular weight

232.257 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C1SCC(=C(C(=O)O)N1)C
SMILES CACTVS 3.385 CC1=C(N[CH](SC1)[CH](N)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC1=C(NC(SC1)C(C(=O)O)N)C(=O)O
Canonical SMILES CACTVS 3.385 CC1=C(N[C@H](SC1)[C@H](N)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O

IUPAC InChI

InChI=1S/C8H12N2O4S/c1-3-2-15-6(4(9)7(11)12)10-5(3)8(13)14/h4,6,10H,2,9H2,1H3,(H,11,12)(H,13,14)/t4-,6+/m0/s1

IUPAC InChI key

WFPVQOKEJDXMTD-UJURSFKZSA-N
2V0

wwPDB Information

Atom count

27 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-17

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned