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ALG : Summary
Code
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ALG
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One-letter code
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X
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Molecule name
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4-carbamimidamidobutanoic acid
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Systematic names
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Formula
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C5 H11 N3 O2
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Formal charge
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0
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Molecular weight
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145.16 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)CCCNC(=[N@H])N |
SMILES
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CACTVS |
3.370 |
NC(=N)NCCCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
C(CC(=O)O)CNC(=N)N |
Canonical SMILES
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CACTVS |
3.370 |
NC(=N)NCCCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
[H]/N=C(\N)/NCCCC(=O)O |
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IUPAC InChI | InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) |
IUPAC InChI key | TUHVEAJXIMEOSA-UHFFFAOYSA-N |
Is part of |
BM2
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wwPDB Information |
Atom count
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21 (10 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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peptide-like
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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