Chemical Components in the PDB

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VH0 : Summary

Code

VH0

One-letter code

P

Molecule name

(2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (4S)-4-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-L-proline
OpenEye OEToolkits 1.9.2 (2S,4S)-4-[4-(aminomethyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid

Formula

C8 H13 N5 O2

Formal charge

0

Molecular weight

211.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C2NCC(n1nnc(c1)CN)C2
SMILES CACTVS 3.385 NCc1cn(nn1)[CH]2CN[CH](C2)C(O)=O
SMILES OpenEye OEToolkits 1.9.2 c1c(nnn1C2CC(NC2)C(=O)O)CN
Canonical SMILES CACTVS 3.385 NCc1cn(nn1)[C@@H]2CN[C@@H](C2)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.9.2 c1c(nnn1[C@H]2C[C@H](NC2)C(=O)O)CN

IUPAC InChI

InChI=1S/C8H13N5O2/c9-2-5-4-13(12-11-5)6-1-7(8(14)15)10-3-6/h4,6-7,10H,1-3,9H2,(H,14,15)/t6-,7-/m0/s1

IUPAC InChI key

JFEVBUPMGGCXQM-BQBZGAKWSA-N

Is part of

JKT
VH0

wwPDB Information

Atom count

28 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2013-04-23

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned