Pteratide II
AlkaPlorer ID: AK061675
Synonym: None
IUPAC Name: N-[(3S,6S,9S,10R,13S,16S,19S,22S,25S,27R)-19-benzyl-16-[(2S)-butan-2-yl]-3,4,7,10,14,17,22,23,27-nonamethyl-6-(2-methylpropyl)-2,5,8,12,15,18,21,24-octaoxo-13-propan-2-yl-11-oxa-1,4,7,14,17,20,23-heptazabicyclo[23.3.0]octacosan-9-yl]benzamide
Structure
SMILES: CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](N=C(O)C2=CC=CC=C2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N2C[C@H](C)C[C@H]2C(=O)N(C)[C@@H](C)C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)N1C
InChI: InChI=1S/C54H80N8O10/c1-16-34(7)45-53(70)60(14)44(32(4)5)54(71)72-37(10)43(56-47(64)39-25-21-18-22-26-39)52(69)59(13)41(27-31(2)3)50(67)58(12)36(9)48(65)62-30-33(6)28-42(62)51(68)57(11)35(8)46(63)55-40(49(66)61(45)15)29-38-23-19-17-20-24-38/h17-26,31-37,40-45H,16,27-30H2,1-15H3,(H,55,63)(H,56,64)/t33-,34+,35+,36+,37-,40+,41+,42+,43+,44+,45+/m1/s1
InChIKey: FWWOFNCROANNII-QVDBIAKNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterula sp. | Pterula | Pterulaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1001.2799999999996
TPSA？: 213.34000000000003
MolLogP？: 5.032900000000012
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|