None
AlkaPlorer ID: AK323545
Synonym: None
IUPAC Name: (2S)-N-[(2R)-1-[(3S,6R,9R,12S,15S,18S,21R,28S,31R)-21-[(2R)-butan-2-yl]-18,28-bis[(2S)-butan-2-yl]-3-[(1R)-1-hydroxyethyl]-1,7,12,15,16,19,29-heptamethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,27,30,33-undecaoxo-31-propan-2-yl-1,4,7,10,13,16,19,22,26,29,32-undecazacyclopentatriacont-4-yl]-3-methyl-1-oxobutan-2-yl]-2-[(2-methoxyacetyl)amino]-N,3-dimethylbutanamide
Structure
SMILES: CC[C@@H](C)[C@H]1N=C(O)CCN=C(O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](C(C)C)N=C(O)CCN(C)C(=O)[C@H]([C@@H](C)O)N(C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](N=C(O)COC)C(C)C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O
InChI: InChI=1S/C70H125N13O16/c1-27-42(14)55-67(95)82(25)58(44(16)29-3)69(97)78(21)46(18)61(89)72-45(17)60(88)73-48(34-37(4)5)63(91)79(22)49(35-38(6)7)64(92)83(70(98)56(41(12)13)80(23)65(93)54(40(10)11)76-52(87)36-99-26)59(47(19)84)68(96)77(20)33-31-51(86)74-53(39(8)9)66(94)81(24)57(43(15)28-2)62(90)71-32-30-50(85)75-55/h37-49,53-59,84H,27-36H2,1-26H3,(H,71,90)(H,72,89)(H,73,88)(H,74,86)(H,75,85)(H,76,87)/t42-,43+,44+,45+,46+,47-,48-,49-,53-,54+,55-,56-,57+,58+,59+/m1/s1
InChIKey: JZIZXEFLLKKORT-VUAAVTJGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellomorpha strongylata | Lamellomorpha | Vulcanellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1404.8449999999991
TPSA？: 384.24000000000007
MolLogP？: 6.944900000000017
Number of H-Donors: 7
Number of H-Acceptors: 16
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | P388 | Activity | 7.4 | ug ml-1 | 10.1021/np970417r |