LZT
Summary
| Name: | N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-L-threoninamide |
| Formula: | C34 H39 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 585.69 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-L-threoninamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-[[(2S,3R)-3-hydroxy-2-[2-[(1S)-6-methoxy-3-oxo-1,2-dihydroinden-1-yl]ethanoylamino]butanoyl]amino]-N-[(4-methylphenyl)methyl]-4-phenyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1ccc(cc1)C)C(NC(=O)C(NC(=O)CC3c2cc(OC)ccc2C(=O)C3)C(O)C)CCc4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2C(=O)C[C@@H](CC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4ccc(C)cc4)c2c1 |
| SMILES | CACTVS | 3.370 | COc1ccc2C(=O)C[CH](CC(=O)N[CH]([CH](C)O)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccc(C)cc4)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)C[C@@H]3CC(=O)c4c3cc(cc4)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2)NC(=O)C(C(C)O)NC(=O)CC3CC(=O)c4c3cc(cc4)OC |
| InChI | InChI | 1.03 | InChI=1S/C34H39N3O6/c1-21-9-11-24(12-10-21)20-35-33(41)29(16-13-23-7-5-4-6-8-23)36-34(42)32(22(2)38)37-31(40)18-25-17-30(39)27-15-14-26(43-3)19-28(25)27/h4-12,14-15,19,22,25,29,32,38H,13,16-18,20H2,1-3H3,(H,35,41)(H,36,42)(H,37,40)/t22-,25+,29+,32+/m1/s1 |
| InChIKey | InChI | 1.03 | XTNVDVZDMWYKHD-TWQSKLGKSA-N |
