7ID
Summary
| Name: | (2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid |
| Formula: | C10 H19 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 289.288 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-beta-aspartyl-L-arginine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-carbamimidamido-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | QCGCETFHYOEVAI-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC(=O)N[CH](CCCNC(N)=N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(C(=O)O)NC(=O)CC(C(=O)O)N)CNC(=N)N |
