Pteratide IV
AlkaPlorer ID: AK061694
Synonym: None
IUPAC Name: N-[(2S)-1-[[(2S,3S)-1-[[(3S,6S,9S,12S,15S,18S,19R)-15-benzyl-6,7,9,10,16,19-hexamethyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-N-methylbenzamide
Structure
SMILES: CC[C@H](C)[C@@H](C(O)=N[C@@H]1C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(O)=N[C@@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(O)=N[C@@H](C(C)C)C(=O)O[C@@H]1C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)C1=CC=CC=C1
InChI: InChI=1S/C52H78N8O10/c1-17-32(8)43(60(16)51(68)42(31(6)7)59(15)48(65)37-26-22-19-23-27-37)46(63)55-41-35(11)70-52(69)40(30(4)5)54-44(61)33(9)56(12)47(64)34(10)57(13)49(66)39(29(2)3)53-45(62)38(58(14)50(41)67)28-36-24-20-18-21-25-36/h18-27,29-35,38-43H,17,28H2,1-16H3,(H,53,62)(H,54,61)(H,55,63)/t32-,33-,34-,35+,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey: OJPMNLJZJIAKSU-FNOQMQAJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pterula sp. | Pterula | Pterulaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 975.2419999999998
TPSA？: 225.62
MolLogP？: 5.6524000000000125
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|