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CHEBI:45552 - 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER
| Formula | C27H30N4O3 |
| Net Charge | 0 |
| Average Mass | 458.562 |
| Monoisotopic Mass | 458.23179 |
| SMILES | [H]/N=C(/c1c([H])c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)OC([H])([H])[H])[C@]([H])(N([H])C(=O)c2c([H])c([H])c(-c3c([H])c([H])c([H])c(C([H])([H])N([H])[H])c3[H])c([H])c2[H])C([H])([H])[H])c1[H])N([H])[H] |
| InChI | InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1 |
| InChIKey | XFKVLKLCLYJKNF-MZNJEOGPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER (CHEBI:45552) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER | PDBeChem |
| methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| RPR | PDBeChem |