TY0
Summary
| Name: | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one |
| Synonyms: | Z-Phe-Tyr(OBut)-COCHO |
| Formula: | C14 H21 N O3 |
| Formal charge: | 0 |
| Formula weight: | 251.321 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-azanyl-1-hydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)Oc1ccc(C[C@H](N)C(=O)CO)cc1 |
| SMILES | CACTVS | 3.370 | CC(C)(C)Oc1ccc(C[CH](N)C(=O)CO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)Oc1ccc(cc1)CC(C(=O)CO)N |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | IXPVTSUBBSRKIT-LBPRGKRZSA-N |
