MUD
Summary
Name: | N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid |
Synonyms: | (S)-2-(3-((R)-1-carboxy-2-methylthio)ethyl)ureido)pentanedioic acid |
Formula: | C10 H16 N2 O7 S |
Formal charge: | 0 |
Formula weight: | 308.308 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid |
OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(2R)-1-hydroxy-3-methylsulfanyl-1-oxo-propan-2-yl]carbamoylamino]pentanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)NC(C(=O)O)CCC(=O)O)CSC |
SMILES_CANONICAL | CACTVS | 3.341 | CSC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | CSC[CH](NC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CSCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H16N2O7S/c1-20-4-6(9(17)18)12-10(19)11-5(8(15)16)2-3-7(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H2,11,12,19)/t5-,6-/m0/s1 |
InChIKey | InChI | 1.03 | AUSWZMPQDDVDBG-WDSKDSINSA-N |