HY9
Summary
| Name: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid |
| Formula: | C17 H30 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 386.443 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H30N4O6/c1-11(16(25)20-27)18-17(26)14(19-12(2)22)7-8-21(10-15(23)24)9-13-5-3-4-6-13/h11,13-14,27H,3-10H2,1-2H3,(H,18,26)(H,19,22)(H,20,25)(H,23,24)/t11-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | CZUXSTKXXAXBTE-RISCZKNCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@H](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)NO)NC(=O)[C@H](CCN(CC1CCCC1)CC(=O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NO)NC(=O)C(CCN(CC1CCCC1)CC(=O)O)NC(=O)C |
