OK4
Summary
| Name: | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide |
| Formula: | C19 H32 N6 O5 |
| Formal charge: | 0 |
| Formula weight: | 424.495 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(2~{S})-2-acetamidopropanoyl]amino]-~{N}-[(2~{S})-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-5-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)CCCc1nc(CO)cn1 |
| InChI | InChI | 1.03 | InChI=1S/C19H32N6O5/c1-10(2)16(17(20)28)25-19(30)14(24-18(29)11(3)22-12(4)27)6-5-7-15-21-8-13(9-26)23-15/h8,10-11,14,16,26H,5-7,9H2,1-4H3,(H2,20,28)(H,21,23)(H,22,27)(H,24,29)(H,25,30)/t11-,14-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | QZMKEXBPFOEOMP-PJODQICGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(=O)[C@H](CCCc1[nH]c(CO)cn1)NC(=O)[C@H](C)NC(C)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)[CH](CCCc1[nH]c(CO)cn1)NC(=O)[CH](C)NC(C)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)N)NC(=O)C(CCCc1[nH]c(cn1)CO)NC(=O)C(C)NC(=O)C |
