G3M
(3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine
Created: | 2018-05-03 |
Last modified: | 2018-05-16 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 2 |
Bond Count | 29 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine |
Systematic Name (OpenEye OEToolkits) | (2~{S},3~{S})-2-azanyl-6-carbamimidamido-3-oxidanyl-hexanoic acid |
Formula | C7 H16 N4 O3 |
Molecular Weight | 204.227 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(C(O)CCCNC(=N)\N)N |
SMILES | CACTVS | 3.385 | N[CH]([CH](O)CCCNC(N)=N)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(C(C(=O)O)N)O)CNC(=N)N |
Canonical SMILES | CACTVS | 3.385 | N[C@@H]([C@@H](O)CCCNC(N)=N)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/N)\NCCC[C@@H]([C@@H](C(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C7H16N4O3/c8-5(6(13)14)4(12)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1 |
InChIKey | InChI | 1.03 | ZMNNJGSTNCXCMN-WHFBIAKZSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 133084109 |