Neoefrapeptin G
AlkaPlorer ID: AK060963
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-methylpropanoyl]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)(C)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/C58H95N13O15/c1-14-57(13,66-46(80)39-23-17-20-30-71(39)51(85)55(9,10)65-44(78)37-21-15-18-28-69(37)35(4)72)49(83)67-54(7,8)48(82)62-36(31-34(2)3)43(77)59-27-24-40(73)60-32-41(74)63-58(25-26-58)50(84)68-56(11,12)52(86)70-29-19-16-22-38(70)45(79)64-53(5,6)47(81)61-33-42(75)76/h34,36-39H,14-33H2,1-13H3,(H,59,77)(H,60,73)(H,61,81)(H,62,82)(H,63,74)(H,64,79)(H,65,78)(H,66,80)(H,67,83)(H,68,84)(H,75,76)/t36-,37-,38-,39?,57?/m0/s1
InChIKey: ZVNLHTMZVCMKRM-BIZUUBGKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geotrichum candidum | Geotrichum | Dipodascaceae | Saccharomycetales | Saccharomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1214.4739999999997
TPSA？: 424.1300000000001
MolLogP？: 7.419700000000018
Number of H-Donors: 11
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|