Molecule

(2S)-2-[[1-tert-butoxycarbonyl-4-(2-naphthyl)piperidine-4-carbonyl]amino]-3-(2-naphthyl)propanoic acid

AlkaPlorer ID: AK005845

Synonym: None

IUPAC Name: (2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-ylpiperidine-4-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid

Structure

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI: InChI=1S/C34H36N2O5/c1-33(2,3)41-32(40)36-18-16-34(17-19-36,28-15-14-25-9-5-7-11-27(25)22-28)31(39)35-29(30(37)38)21-23-12-13-24-8-4-6-10-26(24)20-23/h4-15,20,22,29H,16-19,21H2,1-3H3,(H,35,39)(H,37,38)/t29-/m0/s1

InChIKey: AYLSGZDUJWTOFK-LJAQVGFWSA-N

Reference

Design, synthesis and in vitro biological evaluation of marine phidianidine derivatives as potential anti-inflammatory agents

PubChem CID: 168664761

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 552.6710000000003

TPSA？: 95.94000000000001

MolLogP？: 6.073800000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi