A1BMH
Summary
| Name: | N-{(3S)-3-[(3S)-3-aminooctanamido]octanoyl}glycine |
| Synonyms: | Dioctatin |
| Formula: | C18 H35 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 357.488 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{(3S)-3-[(3S)-3-aminooctanamido]octanoyl}glycine |
| OpenEye OEToolkits | 3.1.0.0 | 2-[[(3~{S})-3-[[(3~{S})-3-azanyloctanoyl]amino]octanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CC(CCCCC)NC(=O)CC(N)CCCCC)NCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C18H35N3O4/c1-3-5-7-9-14(19)11-17(23)21-15(10-8-6-4-2)12-16(22)20-13-18(24)25/h14-15H,3-13,19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t14-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | XLQURZDVPKKPRC-GJZGRUSLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](N)CC(=O)N[C@@H](CCCCC)CC(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCC[CH](N)CC(=O)N[CH](CCCCC)CC(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCC[C@@H](CC(=O)N[C@@H](CCCCC)CC(=O)NCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCC(CC(=O)NC(CCCCC)CC(=O)NCC(=O)O)N |
