2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-6,15,18-triisopropyl-2,5,8,14,17,20,23-heptaoxo-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosan-3-yl]acetamide
AlkaPlorer ID: AK053126
Synonym: None
IUPAC Name: 2-[(3R,6S,9R,15S,18R,21S,24S)-21-benzyl-2,5,8,14,17,20,23-heptaoxo-6,15,18-tri(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H](C(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC(=N)O)N=C(O)[C@H](C(C)C)N=C(O)[C@H]2CCCN2C1=O
InChI: InChI=1S/C38H56N8O8/c1-20(2)29-35(51)41-25(19-28(39)47)37(53)45-16-10-14-26(45)33(49)40-24(18-23-12-8-7-9-13-23)32(48)42-30(21(3)4)36(52)44-31(22(5)6)38(54)46-17-11-15-27(46)34(50)43-29/h7-9,12-13,20-22,24-27,29-31H,10-11,14-19H2,1-6H3,(H2,39,47)(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,44,52)/t24-,25+,26-,27+,29-,30+,31-/m0/s1
InChIKey: PICZCWCKOLHDOJ-YFWPNMSQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa carteri | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 752.9139999999999
TPSA？: 247.64999999999995
MolLogP？: 4.7435700000000045
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|