Molecule

Anchinopeptolide B

AlkaPlorer ID: AK046048

Synonym: ''

IUPAC Name: (2S,3R,4S)-3-[2-(diaminomethylideneamino)ethyl]-4-[3-(diaminomethylideneamino)propyl]-2,4-dihydroxy-N-[2-[[(E)-2-(4-hydroxyphenyl)ethenyl]amino]-2-oxoethyl]-1-[(2R)-1-[[(E)-2-(4-hydroxyphenyl)ethenyl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Structure

SMILES: C[C@H](C(O)=N/C=C/C1=CC=C(O)C=C1)N1C(=O)[C@](O)(CCCNC(=N)N)[C@@H](CCNC(=N)N)[C@]1(O)C(O)=NCC(O)=N/C=C/C1=CC=C(O)C=C1

InChI: InChI=1S/C33H44N10O8/c1-20(27(47)39-17-12-22-5-9-24(45)10-6-22)43-29(49)32(50,14-2-15-40-30(34)35)25(13-18-41-31(36)37)33(43,51)28(48)42-19-26(46)38-16-11-21-3-7-23(44)8-4-21/h3-12,16-17,20,25,44-45,50-51H,2,13-15,18-19H2,1H3,(H,38,46)(H,39,47)(H,42,48)(H4,34,35,40)(H4,36,37,41)/b16-11+,17-12+/t20-,25-,32+,33+/m1/s1

InChIKey: UWVIWDAQDJDWOC-ZVJHVQPCSA-N

Reference

Four New Dimeric Peptide Alkaloids, Anchinopeptolides B-D, and Cycloanchinopeptolide C, Congeners of Anchinopeptolide A, from the Mediterranean Marine Sponge Anchinoe tenacior

PubChem CID: 163040747

LOTUS: LTS0202056

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phorbas tenacior	Phorbas	Hymedesmiidae	Poecilosclerida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 708.7770000000003

TPSA？: 322.80000000000007

MolLogP？: 1.0119400000000054

Number of H-Donors: 13

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi