methyl N-benzoyl-O-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)tyrosinate
Chemical Structure Depiction of
methyl N-benzoyl-O-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)tyrosinate
methyl N-benzoyl-O-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)tyrosinate
Compound characteristics
| Compound ID: | 8004-7441 |
| Compound Name: | methyl N-benzoyl-O-(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl)tyrosinate |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C30 H32 N2 O7 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(COc1ccc(CC(C(=O)OC)NC(c2ccccc2)=O)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3685 |
| logD: | 2.1867 |
| logSw: | -4.3942 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.302 |
| InChI Key: | RORBERQYRKOCAH-QHCPKHFHSA-N |