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CHEBI:41174 - 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID
| Formula | C29H26N2O3 |
| Net Charge | 0 |
| Average Mass | 450.538 |
| Monoisotopic Mass | 450.19434 |
| SMILES | [H]OC(=O)c1c([H])c([H])c(N([H])C(=O)c2c([H])c([H])c3c(c2[H])[C@@]([H])(c2c([H])nc4c([H])c([H])c([H])c([H])c4c2[H])C([H])([H])C([H])([H])C3(C([H])([H])[H])C([H])([H])[H])c([H])c1[H] |
| InChI | InChI=1S/C29H26N2O3/c1-29(2)14-13-23(21-15-19-5-3-4-6-26(19)30-17-21)24-16-20(9-12-25(24)29)27(32)31-22-10-7-18(8-11-22)28(33)34/h3-12,15-17,23H,13-14H2,1-2H3,(H,31,32)(H,33,34)/t23-/m1/s1 |
| InChIKey | WBEIHCAWTAWTBK-HSZRJFAPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID (CHEBI:41174) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID | PDBeChem |
| 4-({[(8S)-5,5-dimethyl-8-quinolin-3-yl-5,6,7,8-tetrahydronaphthalen-2-yl]carbonyl}amino)benzoic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| BMS | PDBeChem |