RGL
ARGINAL
Created: | 2010-05-18 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 26 |
Chiral Atom Count | 1 |
Bond Count | 25 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | ARGINAL |
Systematic Name (OpenEye OEToolkits) | [amino-[[(4S)-4-amino-5-oxo-pentyl]amino]methylidene]azanium |
Formula | C6 H15 N4 O |
Molecular Weight | 159.209 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CC(N)CCCN\C(=[NH2+])N |
SMILES | CACTVS | 3.352 | N[CH](CCCNC(N)=[NH2+])C=O |
SMILES | OpenEye OEToolkits | 1.6.1 | C(CC(C=O)N)CNC(=[NH2+])N |
Canonical SMILES | CACTVS | 3.352 | N[C@@H](CCCNC(N)=[NH2+])C=O |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | C(C[C@@H](C=O)N)CNC(=[NH2+])N |
InChI | InChI | 1.03 | InChI=1S/C6H14N4O/c7-5(4-11)2-1-3-10-6(8)9/h4-5H,1-3,7H2,(H4,8,9,10)/p+1/t5-/m0/s1 |
InChIKey | InChI | 1.03 | QJYRUYURLPTHLR-YFKPBYRVSA-O |
Related Resource References
Resource Name | Reference |
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PubChem | 447904 |