N-(1-{3,3-dimethyl-2-[2-(methylamino)propanamido]butanoyl}-3a,6a-dimethyl-octahydrocyclopenta[b]pyrrol-6-yl)naphthalene-1-carboxamide
AlkaPlorer ID: AK069984
Synonym: None
IUPAC Name: N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3a,6a-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
Structure
SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@]2(C)CC[C@H](NC(=O)C3=CC=CC4=CC=CC=C34)[C@@]12C)C(C)(C)C
InChI: InChI=1S/C30H42N4O3/c1-19(31-7)25(35)33-24(28(2,3)4)27(37)34-18-17-29(5)16-15-23(30(29,34)6)32-26(36)22-14-10-12-20-11-8-9-13-21(20)22/h8-14,19,23-24,31H,15-18H2,1-7H3,(H,32,36)(H,33,35)/t19-,23-,24+,29+,30+/m0/s1
InChIKey: VBQJWOFQCTULPN-CFZPAZQDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligustrum lucidum | Ligustrum | Oleaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 506.6910000000002
TPSA？: 90.54
MolLogP？: 3.868100000000004
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|