U2M
Summary
Name: | (2S)-2-amino-7-sulfanylheptanoic acid |
Formula: | C7 H15 N O2 S |
Formal charge: | 0 |
Formula weight: | 177.264 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S)-2-amino-7-sulfanylheptanoic acid |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-7-sulfanyl-heptanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCCCS |
InChI | InChI | 1.03 | InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | QICNSJMVLZSQPX-LURJTMIESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCCS)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](CCCCCS)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC[C@@H](C(=O)O)N)CCS |
SMILES | OpenEye OEToolkits | 2.0.7 | C(CCC(C(=O)O)N)CCS |