CYG
Summary
Name: | 2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-BUTYRIC ACID |
Formula: | C8 H14 N2 O5 S |
Formal charge: | 0 |
Formula weight: | 250.272 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-2-amino-5-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-oxopentanoic acid |
OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[(2R)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-5-oxo-pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSC(=O)CCC(C(=O)O)N |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(=O)SC[C@H](N)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CCC(=O)SC[CH](N)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)SCC(C(=O)O)N)C(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)16-3-5(10)8(14)15/h4-5H,1-3,9-10H2,(H,12,13)(H,14,15)/t4-,5-/m0/s1 |
InChIKey | InChI | 1.03 | WYPPJURMNVTTGD-WHFBIAKZSA-N |