C4R
Summary
Name: | (R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium |
Synonyms: | (bicyclo [2.2.1] hepta-2-ene)-cystein rhodium |
Formula: | C10 H14 N O2 Rh S |
Formal charge: | 1 |
Formula weight: | 315.194 Da |
Component type: | L-PEPTIDE LINKING |
Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6;/h6-9H,1-2,5,11H2,(H,12,13);/p+1/t6-,7+,8-,9+;/m0./s1 |
InChIKey | InChI | 1.06 | HXNBRNQPOJLSEY-NPPHLGRCSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[SH]1C2[C@@H]3CC[C@H]2C4=C3[Rh+]14)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H]2C3[C@@H]1C4=C2[Rh+]4S3C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2C3C1C4=C2[Rh+]4S3CC(C(=O)O)N |