Kahalalide O
AlkaPlorer ID: AK027725
Synonym: ''
IUPAC Name: N-[2-[[(3S,6S,9R,12R,15R,18R,19R)-6-[(2R)-butan-2-yl]-9-[(1S)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-19-methyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-2-oxoethyl]-5-methylhexanamide
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H]([C@H](C)O)N=C(O)[C@@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](N=C(O)CN=C(O)CCCC(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C48H68N8O11/c1-9-27(6)40-45(63)54-39(26(4)5)48(66)67-29(8)42(53-38(60)24-50-37(59)16-12-13-25(2)3)47(65)52-35(21-30-17-19-32(58)20-18-30)43(61)51-36(44(62)56-41(28(7)57)46(64)55-40)22-31-23-49-34-15-11-10-14-33(31)34/h10-11,14-15,17-20,23,25-29,35-36,39-42,49,57-58H,9,12-13,16,21-22,24H2,1-8H3,(H,50,59)(H,51,61)(H,52,65)(H,53,60)(H,54,63)(H,55,64)(H,56,62)/t27-,28+,29-,35-,36-,39+,40+,41-,42-/m1/s1
InChIKey: NEXGSZAIWOZENU-NTGTWODBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elysia ornata | Elysia | Plakobranchidae | None | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 933.1169999999996
TPSA？: 310.67999999999995
MolLogP？: 7.420300000000006
Number of H-Donors: 10
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|