cyclo[Asn-Val-Ile-Pro-Leu-Leu-Pro]
AlkaPlorer ID: AK122624
Synonym: None
IUPAC Name: 2-[(3S,6S,9S,15S,18S,21S,24S)-15-[(2S)-butan-2-yl]-3,6-bis(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-18-propan-2-yl-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-21-yl]acetamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C37H62N8O8/c1-9-22(8)30-37(53)45-15-11-13-27(45)34(50)39-23(16-19(2)3)31(47)41-25(17-20(4)5)36(52)44-14-10-12-26(44)33(49)40-24(18-28(38)46)32(48)42-29(21(6)7)35(51)43-30/h19-27,29-30H,9-18H2,1-8H3,(H2,38,46)(H,39,50)(H,40,49)(H,41,47)(H,42,48)(H,43,51)/t22-,23-,24-,25-,26-,27-,29-,30-/m0/s1
InChIKey: VULVCYGXJYMPAZ-PXCFLYLPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Reniochalina stalagmitis | Reniochalina | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 746.9509999999999
TPSA？: 247.64999999999995
MolLogP？: 5.327170000000007
Number of H-Donors: 7
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | HepG2 | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | MGC-803 | Inhibition | None | % | 10.1021/np5006778 |
| Homo sapiens | RPMI-8226 | Inhibition | None | % | 10.1021/np5006778 |
| None | NON-PROTEIN TARGET | Inhibition | None | % | 10.1021/np5006778 |