Molecule

(3R,6R,9S,12R,15S,18S,21R)-9,21-bis(furan-3-ylmethyl)-12,15,18-triisopropyl-1,3,4,10-tetramethyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone

AlkaPlorer ID: AK075443

Synonym: None

IUPAC Name: (3R,6R,9S,12R,15S,18S,21R)-9,21-bis(furan-3-ylmethyl)-1,3,4,10-tetramethyl-6-(2-methylpropyl)-12,15,18-tri(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Structure

SMILES: CC(C)C[C@H]1N=C(O)[C@H](CC2=COC=C2)N(C)C(=O)[C@@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@@H](CC2=COC=C2)N(C)C(=O)[C@@H](C)N(C)C1=O

InChI: InChI=1S/C41H63N7O9/c1-22(2)17-29-40(54)46(10)26(9)39(53)47(11)31(19-28-14-16-57-21-28)36(50)43-32(23(3)4)37(51)44-33(24(5)6)38(52)45-34(25(7)8)41(55)48(12)30(35(49)42-29)18-27-13-15-56-20-27/h13-16,20-26,29-34H,17-19H2,1-12H3,(H,42,49)(H,43,50)(H,44,51)(H,45,52)/t26-,29-,30+,31-,32+,33+,34-/m1/s1

InChIKey: KYPFAYLQBMKQJL-QIYZOWRLSA-N

Reference

The isolation, structure, and absolute configuration of the mycotoxin, rhizonin A, a novel cyclic heptapeptide containing N-methyl-3-(3-furyl)alanine, produced by Rhizopus microsporus

PubChem CID: 163005837

LOTUS: LTS0241321

SuperNatural Ⅲ: SN0198919-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhizopus microsporus	Rhizopus	Rhizopodaceae	Mucorales	Mucoromycetes	Mucoromycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 797.9949999999999

TPSA？: 217.57

MolLogP？: 5.486800000000006

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi