I64
Summary
| Name: | benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name) |
| Formula: | C25 H39 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 505.607 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[2-(3-azanyl-3-oxidanylidene-propyl)-2-propanoyl-hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)N(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C25H39N5O6/c1-6-21(32)30(13-12-20(26)31)29-23(33)19(14-16(2)3)27-24(34)22(17(4)5)28-25(35)36-15-18-10-8-7-9-11-18/h7-11,16-17,19,22H,6,12-15H2,1-5H3,(H2,26,31)(H,27,34)(H,28,35)(H,29,33)/t19-,22-/m0/s1 |
| InChIKey | InChI | 1.03 | KUUJMWBAIGJHJP-UGKGYDQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |
| SMILES | CACTVS | 3.385 | CCC(=O)N(CCC(N)=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)OCc1ccccc1 |
