Molecule

(3S,6S,9S,12S,15S)-6,9-dibenzyl-12-[(2R)-4-hydroxybutan-2-yl]-3,15-bis(hydroxymethyl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone

AlkaPlorer ID: AK119190

Synonym: None

IUPAC Name: (3S,6S,9S,12S,15S)-6,9-dibenzyl-12-[(2R)-4-hydroxybutan-2-yl]-3,15-bis(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Structure

SMILES: C[C@H](CCO)[C@@H]1N=C(O)[C@H](CO)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](CC2=CC=CC=C2)N=C1O

InChI: InChI=1S/C32H42N6O9/c1-19(12-13-39)27-32(47)36-23(15-21-10-6-3-7-11-21)29(44)35-22(14-20-8-4-2-5-9-20)30(45)37-24(17-40)28(43)33-16-26(42)34-25(18-41)31(46)38-27/h2-11,19,22-25,27,39-41H,12-18H2,1H3,(H,33,43)(H,34,42)(H,35,44)(H,36,47)(H,37,45)(H,38,46)/t19-,22+,23+,24+,25+,27+/m1/s1

InChIKey: NARUKCDDLJCIHE-GQHROEFJSA-N

Reference

Cyclic Peptides from Higher Plants. Part 30. Three Novel Cyclic Peptides, Yunnanins D, E and F from Stellaria yunnanensis

PubChem CID: 162910160

LOTUS: LTS0207815

SuperNatural Ⅲ: SN0240390-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stellaria yunnanensis	Stellaria	Caryophyllaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 654.7210000000001

TPSA？: 256.23

MolLogP？: 2.0705000000000044

Number of H-Donors: 9

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi