ZRG
Summary
| Name: | (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide |
| Formula: | C11 H22 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 286.331 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithinamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC)C(NC(=O)C)CCCNC(=[N@H])NC(=O)NC |
| SMILES_CANONICAL | CACTVS | 3.370 | CNC(=O)NC(=N)NCCC[C@H](NC(C)=O)C(=O)NC |
| SMILES | CACTVS | 3.370 | CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(=O)NC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)NC(CCCNC(=N)NC(=O)NC)C(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | IHUKVJKKTBLTEE-QMMMGPOBSA-N |
