BPE
Summary
| Name: | (2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFANYL]PROPAN-1-OL |
| Synonyms: | S-PROPYLAMINE-L-CYSTEINE |
| Formula: | C6 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 164.269 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-amino-3-[(3-aminopropyl)sulfanyl]propan-1-ol |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-(3-aminopropylsulfanyl)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(N)CSCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCSC[C@H](N)CO |
| SMILES | CACTVS | 3.341 | NCCCSC[CH](N)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CN)CSC[C@@H](CO)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CN)CSCC(CO)N |
| InChI | InChI | 1.03 | InChI=1S/C6H16N2OS/c7-2-1-3-10-5-6(8)4-9/h6,9H,1-5,7-8H2/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | RYOVYWMBACBGOD-ZCFIWIBFSA-N |
