Gelatinase biosynthesis-activating pheromone
AlkaPlorer ID: AK299103
Synonym: GBAP
IUPAC Name: 2-amino-N-[4-amino-1-[[25-(2-amino-2-oxoethyl)-13-(3-amino-3-oxopropyl)-19-benzyl-22-butan-2-yl-10-(1H-indol-3-ylmethyl)-7-(2-methylsulfanylethyl)-2,6,9,12,15,18,21,24,27-nonaoxo-5-oxa-1,8,11,14,17,20,23,26-octazabicyclo[26.3.0]hentriacontan-3-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
Structure
SMILES: CCC(C)C1NC(=O)C(CC(N)=O)NC(=O)C2CCCN2C(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(N)CCC(N)=O)COC(=O)C(CCSC)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC1=O
InChI: InChI=1S/C59H82N16O16S/c1-4-30(2)49-57(88)72-38(23-31-11-6-5-7-12-31)51(82)66-28-48(80)67-36(17-19-45(62)77)52(83)70-39(24-32-27-65-35-14-9-8-13-33(32)35)53(84)68-37(20-22-92-3)59(90)91-29-42(73-54(85)40(25-46(63)78)69-50(81)34(60)16-18-44(61)76)58(89)75-21-10-15-43(75)56(87)71-41(26-47(64)79)55(86)74-49/h5-9,11-14,27,30,34,36-43,49,65H,4,10,15-26,28-29,60H2,1-3H3,(H2,61,76)(H2,62,77)(H2,63,78)(H2,64,79)(H,66,82)(H,67,80)(H,68,84)(H,69,81)(H,70,83)(H,71,87)(H,72,88)(H,73,85)(H,74,86)
InChIKey: UXKOVDGHLBQCGJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Enterococcus faecalis | Enterococcus | Enterococcaceae | Lactobacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1303.468
TPSA？: 522.6799999999998
MolLogP？: -5.096200000000015
Number of H-Donors: 15
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|