TZT
Summary
| Name: | SOBLIDOTIN |
| Synonyms: | TZT-1027 |
| Formula: | C39 H67 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 701.979 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N-dimethyl-L-valyl-N-{(1S,2S)-2-methoxy-4-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}pyrrolidin-1-yl]-1-[(1R)-1-methylpropyl]-4-oxobutyl}-N-methyl-L-valinamide |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-dimethylamino-N-[(2S)-1-[[(3S,4S,5R)-3-methoxy-1-[(2S)-2-[(1R,2S)-1-methoxy-2-methyl-3-oxo-3-(phenethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxo-heptan-4-yl]-methyl-amino]-3-methyl-1-oxo-butan-2-yl]-3-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N2C(C(OC)C(C(=O)NCCc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(N(C)C)C(C)C)C(C)C)C)C(C)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@H](C)C(=O)NCCc2ccccc2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C |
| SMILES | CACTVS | 3.341 | CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH](C)C(=O)NCCc2ccccc2)OC)N(C)C(=O)[CH](NC(=O)[CH](C(C)C)N(C)C)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H](C)[C@@H]([C@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NCCc2ccccc2)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C |
| InChI | InChI | 1.03 | InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30+,31+,33+,34+,35+,36-/m1/s1 |
| InChIKey | InChI | 1.03 | DZMVCVHATYROOS-NRDHIEEJSA-N |
