823
Summary
| Name: | N,N-bis(3-sulfanylpropyl)-L-asparagine |
| Formula: | C10 H20 N2 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 280.407 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,N-bis(3-sulfanylpropyl)-L-asparagine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-4-[bis(3-sulfanylpropyl)amino]-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC(=O)N(CCCS)CCCS |
| InChI | InChI | 1.03 | InChI=1S/C10H20N2O3S2/c11-8(10(14)15)7-9(13)12(3-1-5-16)4-2-6-17/h8,16-17H,1-7,11H2,(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | OOYMTWWRMCVFLL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(=O)N(CCCS)CCCS)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC(=O)N(CCCS)CCCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CN(CCCS)C(=O)C[C@@H](C(=O)O)N)CS |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CN(CCCS)C(=O)CC(C(=O)O)N)CS |
