Chujamide A; N-Deglycyl
AlkaPlorer ID: AK292456
Synonym: Chujamide B
IUPAC Name: 18-[(2-amino-3-methylpentanoyl)amino]-38-benzyl-26-butan-2-yl-9-[(4-hydroxyphenyl)methyl]-35-(2-methylpropyl)-2,8,11,17,25,28,34,37,40-nonaoxo-20,21-dithia-1,7,10,16,24,27,33,36,39-nonazapentacyclo[39.3.0.03,7.012,16.029,33]tetratetracontane-23-carboxylic acid
Structure
SMILES: CCC(C)C(N)C(=O)NC1CSSCC(C(=O)O)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C1=O
InChI: InChI=1S/C62H89N11O13S2/c1-7-36(5)50(63)56(79)67-44-33-87-88-34-45(62(85)86)68-57(80)51(37(6)8-2)69-55(78)48-20-13-26-70(48)58(81)42(30-35(3)4)65-52(75)41(31-38-16-10-9-11-17-38)64-53(76)47-19-14-28-72(47)61(84)49-21-15-29-73(49)59(82)43(32-39-22-24-40(74)25-23-39)66-54(77)46-18-12-27-71(46)60(44)83/h9-11,16-17,22-25,35-37,41-51,74H,7-8,12-15,18-21,26-34,63H2,1-6H3,(H,64,76)(H,65,75)(H,66,77)(H,67,79)(H,68,80)(H,69,78)(H,85,86)
InChIKey: XGABOLBUUJWPLW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1260.592
TPSA？: 339.39
MolLogP？: 1.995400000000004
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|