Neoefrapeptin H
AlkaPlorer ID: AK060975
Synonym: None
IUPAC Name: 2-[[2-[[(2S)-1-[2-[[1-[[2-[3-[[(2S)-2-[[2-[[2-[[1-[2-[[(2S)-1-acetylpiperidine-2-carbonyl]amino]-2-methylpropanoyl]piperidine-2-carbonyl]amino]-2-methylbutanoyl]amino]-2-methylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]acetyl]amino]cyclopropanecarbonyl]amino]-2-methylpropanoyl]piperidine-2-carbonyl]amino]-2-methylpropanoyl]amino]acetic acid
Structure
SMILES: CCC(C)(N=C(O)C1CCCCN1C(=O)C(C)(C)N=C(O)[C@@H]1CCCCN1C(C)=O)C(O)=NC(C)(CC)C(O)=N[C@@H](CC(C)C)C(O)=NCCC(O)=NCC(O)=NC1(C(O)=NC(C)(C)C(=O)N2CCCC[C@H]2C(O)=NC(C)(C)C(O)=NCC(=O)O)CC1
InChI: InChI=1S/C59H97N13O15/c1-14-57(12,69-50(84)58(13,15-2)67-47(81)40-24-18-21-31-72(40)52(86)55(8,9)66-45(79)38-22-16-19-29-70(38)36(5)73)49(83)63-37(32-35(3)4)44(78)60-28-25-41(74)61-33-42(75)64-59(26-27-59)51(85)68-56(10,11)53(87)71-30-20-17-23-39(71)46(80)65-54(6,7)48(82)62-34-43(76)77/h35,37-40H,14-34H2,1-13H3,(H,60,78)(H,61,74)(H,62,82)(H,63,83)(H,64,75)(H,65,80)(H,66,79)(H,67,81)(H,68,85)(H,69,84)(H,76,77)/t37-,38-,39-,40?,57?,58?/m0/s1
InChIKey: HEESDQJBDWZEDS-VGTOESSISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geotrichum candidum | Geotrichum | Dipodascaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1228.5009999999995
TPSA？: 424.1300000000001
MolLogP？: 7.809800000000019
Number of H-Donors: 11
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|