1-{4-benzyl-2-hydroxy-4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]butyl}-N-tert-butyl-4-({furo[2,3-b]pyridin-5-yl}methyl)piperazine-2-carboxamide
AlkaPlorer ID: AK094814
Synonym: None
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
Structure
SMILES: CC(C)(C)N=C(O)[C@@H]1CN(CC2=CN=C3OC=CC3=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(O)=N[C@H]1C2=CC=CC=C2C[C@H]1O
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
InChIKey: UBUFVRJUGFJQSI-PPJSLLJVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Panax quinquefolius | Panax | Araliaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 653.8240000000003
TPSA？: 138.15
MolLogP？: 5.293700000000007
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6