Molecule

sanguinamide A

AlkaPlorer ID: AK096145

Synonym: None

IUPAC Name: (2S,5S,11S,14S,20S,23S)-20-benzyl-2-[(2R)-butan-2-yl]-11-[(2S)-butan-2-yl]-23-methyl-28-thia-3,9,12,18,21,24,29-heptazatetracyclo[24.2.1.05,9.014,18]nonacosa-1(29),26-diene-4,10,13,19,22,25-hexone

Structure

SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C)N=C(O)C2=CSC1=N2

InChI: InChI=1S/C37H51N7O6S/c1-6-21(3)29-35-40-26(20-51-35)32(46)38-23(5)31(45)39-25(19-24-13-9-8-10-14-24)36(49)43-17-11-15-27(43)34(48)42-30(22(4)7-2)37(50)44-18-12-16-28(44)33(47)41-29/h8-10,13-14,20-23,25,27-30H,6-7,11-12,15-19H2,1-5H3,(H,38,46)(H,39,45)(H,41,47)(H,42,48)/t21-,22+,23+,25+,27+,28+,29+,30+/m1/s1

InChIKey: WRYMAGLGOZIEQC-JXQFFULWSA-N

Reference

Structure Elucidation at the Nanomole Scale. 1. Trisoxazole Macrolides and Thiazole-Containing Cyclic Peptides from the Nudibranch <i>Hexabranchus sanguineus</i>

PubChem CID: 162909635

LOTUS: LTS0072919

SuperNatural Ⅲ: SN0418421-04

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Hexabranchus sanguineus	Hexabranchus	Hexabranchidae	Nudibranchia	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 721.9250000000002

TPSA？: 183.87

MolLogP？: 5.814500000000004

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi