| PDB CCD ID: | TY0 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H21 N O3 |
| InChI: | InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1 |
| InChIKey: | IXPVTSUBBSRKIT-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | CC(C)(C)Oc1ccc(C[C@H](N)C(=O)CO)cc1 | | OpenEye OEToolkits 1.7.0 | CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N | | ACDLabs 12.01 | O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1 | | OpenEye OEToolkits 1.7.0 | CC(C)(C)Oc1ccc(cc1)CC(C(=O)CO)N | | CACTVS 3.370 | CC(C)(C)Oc1ccc(C[CH](N)C(=O)CO)cc1 |
|
| Name: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one;
Z-Phe-Tyr(OBut)-COCHO |
| ZINC: | ZINC000098209477 |
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