S8H
Summary
| Name: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid |
| Formula: | C13 H23 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 349.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H23N3O6S/c1-7(2)22-11(18)5-15-12(19)9(6-23)16-10(17)4-3-8(14)13(20)21/h7-9,23H,3-6,14H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | MVNCPACIPXNJIW-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)OC(=O)CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)OC(=O)CNC(=O)[C@@H](CS)NC(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)OC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N |
