Molecule

Marthiapeptide A

AlkaPlorer ID: AK305275

Synonym: None

IUPAC Name: 16-benzyl-19-butan-2-yl-22-methyl-3,7,11,24-tetrathia-15,18,21,26,27,28,29-heptazapentacyclo[21.2.1.12,5.16,9.110,13]nonacosa-1(25),2(29),4,6(28),8,10(27),23(26)-heptaene-14,17,20-trione

Structure

SMILES: CCC(C)C1N=C(O)C(CC2=CC=CC=C2)N=C(O)C2CSC(=N2)C2=CSC(=N2)C2=CSC(=N2)C2=CSC(=N2)C(C)N=C1O

InChI: InChI=1S/C30H31N7O3S4/c1-4-15(2)23-26(40)31-16(3)27-34-20(12-41-27)29-36-22(14-43-29)30-35-21(13-44-30)28-33-19(11-42-28)25(39)32-18(24(38)37-23)10-17-8-6-5-7-9-17/h5-9,12-16,18-19,23H,4,10-11H2,1-3H3,(H,31,40)(H,32,39)(H,37,38)

InChIKey: BTQRWSUKDHTMKD-UHFFFAOYSA-N

Reference

Marthiapeptide A, an Anti-infective and Cytotoxic Polythiazole Cyclopeptide from a 60 L Scale Fermentation of the Deep Sea-Derived <i>Marinactinospora thermotolerans</i> SCSIO 00652

PubChem CID: 78074862

LOTUS: LTS0158323

COCONUT: CNP0229512.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Marinactinospora thermotolerans	Marinactinospora	Nocardiopsaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 665.892

TPSA？: 148.79999999999998

MolLogP？: 7.222200000000007

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi