Bromoalterochromide A'
AlkaPlorer ID: AK064370
Synonym: None
IUPAC Name: (2E,4E,6E,8E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-16-methyl-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Structure
SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C(C)C)N=C(O)[C@@H](N=C(O)/C=C/C=C/C=C/C=C/C2=CC=C(O)C(Br)=C2)[C@@H](C)OC1=O
InChI: InChI=1S/C38H50BrN7O10/c1-20(2)16-27-38(55)56-22(5)33(45-31(50)13-11-9-7-6-8-10-12-23-14-15-28(47)24(39)17-23)37(54)46-32(21(3)4)36(53)43-26(19-30(41)49)34(51)42-25(18-29(40)48)35(52)44-27/h6-15,17,20-22,25-27,32-33,47H,16,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,52)(H,45,50)(H,46,54)/b8-6+,9-7+,12-10+,13-11+/t22-,25+,26+,27+,32+,33+/m1/s1
InChIKey: AZKKJPHFGXHXKQ-YRLMMGSCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoalteromonas maricaloris | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 844.7610000000002
TPSA？: 297.64
MolLogP？: 6.960140000000007
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | MIC | 40.0 | ug.mL-1 | 10.1021/np500041x |