Navigation

name Structure Reference Source Properties Activities Metabolism

N-{1-[({[(1S)-1-{[1-({[({[(1S)-1-({1-[({[(1S,2S)-1-{[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-1-methylethyl]carbamoyl}-2-me

AlkaPlorer ID: AK056261

Synonym: None

IUPAC Name: N-[1-[[2-[[(2S)-1-[[1-[[2-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide

Structure

SMILES: CCCCCCCC(O)=NC(C)(C)C(O)=NCC(O)=N[C@H](C(O)=NC(C)(C)C(O)=NCC(O)=NCC(O)=N[C@H](C(O)=NC(C)(C)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](CO)CC(C)C)[C@@H](C)CC)C(C)C)C(C)C

copy

InChI: InChI=1S/C50H91N11O12/c1-16-18-19-20-21-22-34(63)59-48(10,11)45(71)53-26-37(66)57-40(31(7)8)44(70)60-49(12,13)46(72)52-24-35(64)51-25-36(65)56-39(30(5)6)43(69)61-50(14,15)47(73)54-27-38(67)58-41(32(9)17-2)42(68)55-33(28-62)23-29(3)4/h29-33,39-41,62H,16-28H2,1-15H3,(H,51,64)(H,52,72)(H,53,71)(H,54,73)(H,55,68)(H,56,65)(H,57,66)(H,58,67)(H,59,63)(H,60,70)(H,61,69)/t32-,33-,39-,40-,41-/m0/s1

copy

InChIKey: XOQYSZXRJXOERD-LTFIPCCVSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Trichoderma koningii Trichoderma Hypocreaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 1038.3429999999996

TPSA？: 378.72

MolLogP？: 9.075100000000008

Number of H-Donors: 12

Number of H-Acceptors: 12

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens HepG2 EC50 10730.0 nM 10.1021/acs.jnatprod.0c01370
Plasmodium falciparum Plasmodium falciparum EC50 910.0 nM 10.1021/acs.jnatprod.0c01370
None ADMET Ratio EC50 12.0 None 10.1021/acs.jnatprod.0c01370

Metabolism Information