Chemical Components in the PDB

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EU0 : Summary

Code

EU0

One-letter code

V

Molecule name

1-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]guanidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [azanyl-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]methylidene]azanium

Formula

C6 H14 N3 O2

Formal charge

1

Molecular weight

160.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)[CH](NC(N)=[NH2+])C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)C(C(=O)O)NC(=[NH2+])N
Canonical SMILES CACTVS 3.385 CC(C)[C@H](NC(N)=[NH2+])C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)[C@@H](C(=O)O)NC(=[NH2+])N

IUPAC InChI

InChI=1S/C6H13N3O2/c1-3(2)4(5(10)11)9-6(7)8/h3-4H,1-2H3,(H,10,11)(H4,7,8,9)/p+1/t4-/m0/s1

IUPAC InChI key

KRDSZDZVHLBUMZ-BYPYZUCNSA-O
EU0

wwPDB Information

Atom count

25 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

VAL

Defined at

2022-01-13

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned