BN6
(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID
Find entries where: BN6
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID |
| Identifiers | (2S)-2-[2-[[(2R,3S)-3-[[[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]-(cyclopropylmethyl)carbamoyl]amino]-4-cyclopropyl-2-hydroxy-butanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid |
| Formula | C35 H52 N6 O9 |
| Molecular Weight | 700.822 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O |
| InChI | InChI=1S/C35H52N6O9/c1-21(2)20-50-35(49)39-28(24-9-5-3-6-10-24)31(44)40-41(19-23-15-16-23)34(48)37-26(17-22-13-14-22)30(43)32(45)36-18-27(42)38-29(33(46)47)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26,28-30,43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,45)(H,37,48)(H,38,42)(H,39,49)(H,40,44)(H,46,47)/t26-,28-,29-,30+/m0/s1 |
| InChIKey | PLFWZBVXDUFZCY-ZVVXMFRTSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 102 |
| Chiral Atom Count | 4 |
| Bond Count | 105 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 24916812 |
