{5,8,11,14,17,20,23-heptahydroxy-21-[2-(c-hydroxycarbonimidoyl)ethyl]-6,15,18-tris(2-methylpropyl)-25-(9-methylundecyl)-2-oxo-3,12-bis(sec-butyl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-9-yl}acetic acid
AlkaPlorer ID: AK007430
Synonym: 'Lichenysin-G8a', '2-3,12-bis(butan-2-yl)-5,8,11,14,17,20,23-heptahydroxy-21-2-(C-hydroxycarbonimidoyl)ethyl-6,15,18-tris(2-methylpropyl)-25-(9-methylundecyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-9-ylacetic acid'
IUPAC Name: 2-[(3S,6S,9S,12S,15R,18S,21S,25R)-21-(3-amino-3-oxopropyl)-3,12-bis[(2S)-butan-2-yl]-6,15,18-tris(2-methylpropyl)-25-[(9S)-9-methylundecyl]-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-9-yl]acetic acid
Structure
SMILES: CC[C@H](C)CCCCCCCC[C@@H]1CC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)CC)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)CC)C(=O)O1
InChI: InChI=1S/C54H96N8O12/c1-13-34(10)22-20-18-16-17-19-21-23-37-29-44(64)56-38(24-25-43(55)63)48(67)57-39(26-31(4)5)49(68)58-40(27-32(6)7)51(70)61-46(35(11)14-2)53(72)60-42(30-45(65)66)50(69)59-41(28-33(8)9)52(71)62-47(36(12)15-3)54(73)74-37/h31-42,46-47H,13-30H2,1-12H3,(H2,55,63)(H,56,64)(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H,65,66)/t34-,35-,36-,37+,38-,39-,40+,41-,42-,46-,47-/m0/s1
InChIKey: NDTGVBMZLOGOLU-GLAXHUFTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus licheniformis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 1049.4059999999995
TPSA？: 335.81
MolLogP？: 11.76516999999999
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|