MFD
Summary
| Name: | (2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID |
| Formula: | C20 H29 N O3 |
| Formal charge: | 0 |
| Formula weight: | 331.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@H](Cc1ccccc1)[C@H](C)\C=C(C)\C=C\[C@H](N)[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.341 | CO[CH](Cc1ccccc1)[CH](C)C=C(C)C=C[CH](N)[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](\C=C(/C)\C=C\[C@@H]([C@H](C)C(=O)O)N)[C@@H](Cc1ccccc1)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C=C(C)C=CC(C(C)C(=O)O)N)C(Cc1ccccc1)OC |
| InChI | InChI | 1.03 | InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16+,18+,19-/m1/s1 |
| InChIKey | InChI | 1.03 | HJVCHYDYCYBBQX-AWKNMOFVSA-N |
