L73
Summary
| Name: | N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide |
| Formula: | C30 H44 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 524.695 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[2-(butylamino)ethanoylamino]-3-(4-~{tert}-butylphenyl)-~{N}-[(2~{S})-3-(3-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(CC(NC(=O)C(Cc2ccc(cc2)C(C)(C)C)NC(=O)CNCCCC)C(=O)NC)ccc1 |
| InChI | InChI | 1.03 | InChI=1S/C30H44N4O4/c1-7-8-16-32-20-27(35)33-26(18-21-12-14-23(15-13-21)30(2,3)4)29(37)34-25(28(36)31-5)19-22-10-9-11-24(17-22)38-6/h9-15,17,25-26,32H,7-8,16,18-20H2,1-6H3,(H,31,36)(H,33,35)(H,34,37)/t25-,26+/m0/s1 |
| InChIKey | InChI | 1.03 | VWEUUVZMTLGMMV-IZZNHLLZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc2cccc(OC)c2)C(=O)NC |
| SMILES | CACTVS | 3.385 | CCCCNCC(=O)N[CH](Cc1ccc(cc1)C(C)(C)C)C(=O)N[CH](Cc2cccc(OC)c2)C(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](Cc2cccc(c2)OC)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNCC(=O)NC(Cc1ccc(cc1)C(C)(C)C)C(=O)NC(Cc2cccc(c2)OC)C(=O)NC |
