CYR
Summary
| Name: | N~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-L-ORNITHINATE |
| Synonyms: | L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE |
| Formula: | C9 H19 N4 O4 S |
| Formal charge: | 1 |
| Formula weight: | 279.337 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {[(4S)-4-amino-4-carboxybutyl]amino}{[(2R)-2-amino-2-carboxyethyl]sulfanyl}methaniminium |
| OpenEye OEToolkits | 1.5.0 | [[[(4S)-4-amino-5-hydroxy-5-oxo-pentyl]amino]-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCCNC(\SCC(N)C(=O)O)=[NH2+] |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCNC(=[NH2+])SC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCNC(=[NH2+])SC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C(=O)O)N)CNC(=[NH2+])SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)O)N)CNC(=[NH2+])SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H18N4O4S/c10-5(7(14)15)2-1-3-13-9(12)18-4-6(11)8(16)17/h5-6H,1-4,10-11H2,(H2,12,13)(H,14,15)(H,16,17)/p+1/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | FBDBZWJNHYXEKT-WDSKDSINSA-O |
