IJI
Summary
| Name: | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide |
| Formula: | C11 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 253.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | SPVSLQNYRIRMJN-VYJZUSIPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N=CC=C |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCCC[C@@H](C(=O)N=CC=C)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(CCCNC(=N)N)C(=O)N=CC=C |
