Molecule

Patellamide C

AlkaPlorer ID: AK025504

Synonym: '', 'Patellamide C', '81120-74-3'

IUPAC Name: (4S,7R,8S,11R,18S,21R,22S,25R)-11-benzyl-4-[(2R)-butan-2-yl]-7,21,25-trimethyl-18-propan-2-yl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone

Structure

SMILES: CC[C@@H](C)[C@@H]1N=C(O)C2=CSC(=N2)[C@@H](C)N=C(O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)N=C(O)C2=CSC(=N2)[C@@H](CC2=CC=CC=C2)N=C(O)[C@H]2N=C1O[C@@H]2C

InChI: InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19-,20-,21-,23-,26+,27+,28+,29+/m1/s1

InChIKey: CFXBLGFMQUFLKS-RORPRFDZSA-N

Reference

Structure Determination and MSn Analysis of Two New Lissoclinamides Isolated from the Indo–Pacific Ascidian Lissoclinum patella: NOE Restrained Molecular Dynamics Confirms the Absolute Stereochemistry Derived by Degradative Methods

PubChem CID: 162931287

LOTUS: LTS0003471

SuperNatural Ⅲ: SN0044650-04

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lissoclinum patella	Lissoclinum	Didemnidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 762.959

TPSA？: 199.32

MolLogP？: 6.991300000000007

Number of H-Donors: 4

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi