Brevistin
AlkaPlorer ID: AK326456
Synonym: None
IUPAC Name: 2-[6,30-bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-3-benzyl-9-butan-2-yl-18-(carboxymethyl)-12-(1H-indol-2-ylmethyl)-34-methyl-33-(6-methyloctanoylamino)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacont-27-yl]acetic acid
Structure
SMILES: CCC(C)CCCCC(O)=NC1C(O)=NC(CCN)C(O)=NC(CC(=O)O)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CC(=O)O)C(O)=NCC(O)=NC(CC2=CC3=CC=CC=C3N2)C(O)=NC(C(C)CC)C(O)=NC(CCN)C(O)=NC(CC2=CC=CC=C2)C(=O)OC1C
InChI: InChI=1S/C63H91N15O18/c1-6-33(3)15-11-14-20-48(80)77-54-35(5)96-63(95)46(25-36-16-9-8-10-17-36)76-58(90)41(22-24-65)72-61(93)53(34(4)7-2)78-60(92)42(27-38-26-37-18-12-13-19-39(37)69-38)70-49(81)31-67-56(88)45(30-52(85)86)75-59(91)43(28-47(66)79)71-50(82)32-68-55(87)44(29-51(83)84)74-57(89)40(21-23-64)73-62(54)94/h8-10,12-13,16-19,26,33-35,40-46,53-54,69H,6-7,11,14-15,20-25,27-32,64-65H2,1-5H3,(H2,66,79)(H,67,88)(H,68,87)(H,70,81)(H,71,82)(H,72,93)(H,73,94)(H,74,89)(H,75,91)(H,76,90)(H,77,80)(H,78,92)(H,83,84)(H,85,86)
InChIKey: UTZGLRKJAFLPQM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brevibacillus brevis | Brevibacillus | Paenibacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1346.5080000000005
TPSA？: 571.3000000000003
MolLogP？: 6.96227000000002
Number of H-Donors: 18
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|