0A8
S-[(2-chloroethyl)carbamoyl]-L-cysteine
Created: | 2007-11-09 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 1 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | S-[(2-chloroethyl)carbamoyl]-L-cysteine |
Systematic Name (OpenEye OEToolkits) | (2R)-2-amino-3-(2-chloroethylcarbamoylsulfanyl)propanoic acid |
Formula | C6 H11 Cl N2 O3 S |
Molecular Weight | 226.681 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSC(=O)NCCCl |
SMILES | CACTVS | 3.341 | N[CH](CSC(=O)NCCCl)C(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CCl)NC(=O)SCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | N[C@@H](CSC(=O)NCCCl)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(CCl)NC(=O)SC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H11ClN2O3S/c7-1-2-9-6(12)13-3-4(8)5(10)11/h4H,1-3,8H2,(H,9,12)(H,10,11)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | JFWAKRSZKNRPNA-BYPYZUCNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49866373 |