L 754394
PubChem CID: 5481990
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 160729-91-9, L 754394, L-754394, L-754,394, HIV-IN-11, CHEMBL2062137, (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide, 1-Piperazinepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-gamma-hydroxy-alpha-(phenylmethyl)-, (alphaR,gammaS,2S)-, D-erythro-Pentonamide, 2,3,5-trideoxy-N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-5-[(2S)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-(furo[2,3-b]pyridin-5-ylmethyl)-1-piperazinyl]-2-(phenylmethyl)-, CompoundK, (2S)-1-((2S,4R)-4-benzyl-2-hydroxy-5-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)-5-oxopentyl)-N-tert-butyl-4-(furo(2,3-b)pyridin-5-ylmethyl)piperazine-2-carboxamide, (S)-1-((2S,4R)-4-benzyl-2-hydroxy-5-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)-5-oxopentyl)-N-(tert-butyl)-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide, L 754,394, BDBM50408997, AKOS016007841, N-(2-hydroxy-1-indanyl)-5-(2-(1,1-dimethylethylaminocarbonyl)-4-((furano(2,3-b)pyridin-5-yl)methyl)piperazin-1-yl)-4-hydroxy-2-phenylmethylpentanamide, PD095742, HY-120812, CS-0079243, (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide, N-(2(R)-Hydroxy-1(S)-indany)-2(R)-phenylmethyl-4(S)-hydroxy-5-(1-(4-(5-furo[2,3-b]pyridylmethyl)- 2(S)-N'-(tert-butylcarboxamido)piperazinyl)) pentanamide |
|---|---|
| Topological Polar Surface Area | 131.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 48.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1060.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | Q72874, P10635, P08684, n.a. |
| Iupac Name | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(furo[2,3-b]pyridin-5-ylmethyl)piperazine-2-carboxamide |
| Prediction Hob | 0.0 |
| Target Id | NPT110, NPT109 |
| Xlogp | 3.5 |
| Molecular Formula | C38H47N5O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UBUFVRJUGFJQSI-PPJSLLJVSA-N |
| Fcsp3 | 0.4473684210526316 |
| Logs | -4.081 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.891 |
| Compound Name | L 754394 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 653.358 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 653.358 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 653.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.1911588 |
| Inchi | InChI=1S/C38H47N5O5/c1-38(2,3)41-36(47)32-24-42(22-26-18-28-13-16-48-37(28)39-21-26)14-15-43(32)23-30(44)19-29(17-25-9-5-4-6-10-25)35(46)40-34-31-12-8-7-11-27(31)20-33(34)45/h4-13,16,18,21,29-30,32-34,44-45H,14-15,17,19-20,22-24H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,32+,33-,34+/m1/s1 |
| Smiles | CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=C6C(=C5)C=CO6 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all