Molecule

2-{[4,5-dihydroxy-3-(thiophene-2-sulfonamido)cyclohex-1-en-1-yl]formamido}-3-(1H-indol-3-yl)propanamide

AlkaPlorer ID: AK153501

Synonym: None

IUPAC Name: (3R,4R,5R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4,5-dihydroxy-3-(thiophen-2-ylsulfonylamino)cyclohexene-1-carboxamide

Structure

SMILES: NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C1=C[C@@H](NS(=O)(=O)C2=CC=CS2)[C@@H](O)[C@H](O)C1

InChI: InChI=1S/C22H24N4O6S2/c23-21(29)17(9-13-11-24-15-5-2-1-4-14(13)15)25-22(30)12-8-16(20(28)18(27)10-12)26-34(31,32)19-6-3-7-33-19/h1-8,11,16-18,20,24,26-28H,9-10H2,(H2,23,29)(H,25,30)/t16-,17-,18-,20-/m1/s1

InChIKey: YWFRBSPFOWIATD-SOAMZJECSA-N

Reference

Pachycladins A−E, Prostate Cancer Invasion and Migration Inhibitory Eunicellin-Based Diterpenoids from the Red Sea Soft Coral <i>Cladiella pachyclados</i>

PubChem CID: 7134423

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 504.59000000000015

TPSA？: 174.60999999999996

MolLogP？: 0.140999999999999

Number of H-Donors: 6

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi