SJ1
Summary
| Name: | N-(ISOBUTOXYCARBONYL)-D-SERYL-N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-L-ALANINAMIDE |
| Formula: | C17 H32 N6 O6 |
| Formal charge: | 0 |
| Formula weight: | 416.473 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2-methylpropoxy)carbonyl]-D-seryl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-alaninamide |
| OpenEye OEToolkits | 1.5.0 | 2-methylpropyl N-[(2R)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-oxo-pentan-2-yl]amino]-1-oxo-propan-2-yl]amino]-3-hydroxy-1-oxo-propan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NC(C=O)CCCNC(=[N@H])N)C)C(NC(=O)OCC(C)C)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C=O |
| SMILES | CACTVS | 3.341 | CC(C)COC(=O)N[CH](CO)C(=O)N[CH](C)C(=O)N[CH](CCCNC(N)=N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/NCCC[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCC(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCCC(C=O)NC(=O)C(C)NC(=O)C(CO)NC(=O)OCC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C17H32N6O6/c1-10(2)9-29-17(28)23-13(8-25)15(27)21-11(3)14(26)22-12(7-24)5-4-6-20-16(18)19/h7,10-13,25H,4-6,8-9H2,1-3H3,(H,21,27)(H,22,26)(H,23,28)(H4,18,19,20)/t11-,12-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | SKCVKPRTPPHGAU-RWMBFGLXSA-N |
