Molecule

Nunapeptin

AlkaPlorer ID: AK472409

Synonym: None

IUPAC Name: N-[1-[1-[1-[1-[1-[1-[1-[1-[1-[3-[1-[1-[1-[1-[1-[[9-(2-aminoethyl)-3-butan-2-yl-5,8,11,14-tetrahydroxy-6-(hydroxymethyl)-12,16-dimethyl-2-oxo-1-oxa-4,7,10,13-tetrazacyclohexadeca-4,7,10,13-tetraen-15-yl]imino]-1-hydroxybut-2-en-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-3-hydroxyprop-1-en-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxybut-2-en-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]-1-[2-(1,3-dihydroxydodecylideneamino)but-2-enoyl]pyrrolidine-2-carboximidic acid

Structure

SMILES: C=C(N=C(O)C(N=C(O)C(N=C(O)C(CO)N=C(O)C(=CC)N=C(O)C(C)N=C(O)C(N=C(O)C(C)N=C(O)C(C)N=C(O)C(C)N=C(O)C1CCCN1C(=O)C(=CC)N=C(O)CC(O)CCCCCCCCC)C(C)C)C(C)C)C(C)CC)C(O)=NC(C)C(O)=NC(C(O)=NC(C)C(O)=NC(C(O)=NC(=CC)C(O)=NC1C(O)=NC(C)C(O)=NC(CCN)C(O)=NC(CO)C(O)=NC(C(C)CC)C(=O)OC1C)C(C)C)C(C)C

InChI: InChI=1S/C99H165N23O27/c1-26-32-33-34-35-36-37-39-62(125)44-70(126)109-65(31-6)98(147)122-43-38-40-69(122)91(140)104-54(18)79(128)101-53(17)78(127)102-58(22)83(132)115-71(47(7)8)92(141)105-56(20)81(130)110-63(29-4)86(135)113-67(45-123)89(138)118-74(50(13)14)95(144)119-75(51(15)27-2)96(145)107-55(19)80(129)103-59(23)84(133)116-72(48(9)10)93(142)106-60(24)85(134)117-73(49(11)12)94(143)111-64(30-5)87(136)121-77-61(25)149-99(148)76(52(16)28-3)120-90(139)68(46-124)114-88(137)66(41-42-100)112-82(131)57(21)108-97(77)146/h29-31,47-54,56-62,66-69,71-77,123-125H,19,26-28,32-46,100H2,1-18,20-25H3,(H,101,128)(H,102,127)(H,103,129)(H,104,140)(H,105,141)(H,106,142)(H,107,145)(H,108,146)(H,109,126)(H,110,130)(H,111,143)(H,112,131)(H,113,135)(H,114,137)(H,115,132)(H,116,133)(H,117,134)(H,118,138)(H,119,144)(H,120,139)(H,121,136)

InChIKey: NVSQQGJQHRAZND-UHFFFAOYSA-N

Reference

Nonribosomal Peptides, Key Biocontrol Components for Pseudomonas fluorescens In5, Isolated from a Greenlandic Suppressive Soil

PubChem CID: 163059867

LOTUS: LTS0217722

COCONUT: CNP0348620.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudomonas fluorescens	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 2109.542999999998

TPSA？: 817.7100000000004

MolLogP？: 13.581099999999996

Number of H-Donors: 25

Number of H-Acceptors: 28

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi