|
4J5 : Summary
Code
|
4J5
|
One-letter code
|
R
|
Molecule name
|
amino{[(3S)-3-amino-3-carboxypropyl]amino}methaniminium
|
Systematic names
|
|
Formula
|
C5 H13 N4 O2
|
Formal charge
|
1
|
Molecular weight
|
161.182 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
OC(=O)C(N)CCNC(=[N@H2+])N |
SMILES
|
CACTVS |
3.385 |
N[CH](CCNC(N)=[NH2+])C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(CNC(=[NH2+])N)C(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.385 |
N[C@@H](CCNC(N)=[NH2+])C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(CNC(=[NH2+])N)[C@@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C5H12N4O2/c6-3(4(10)11)1-2-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/p+1/t3-/m0/s1 |
IUPAC InChI key | IFPQOXNWLSRZKX-VKHMYHEASA-O |
|
wwPDB Information |
Atom count
|
24 (11 without Hydrogen)
|
Polymer type
|
Amino Acid
|
Type description
|
L-PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
ARG
|
Defined at
|
2015-10-08
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|