Pumilacidin B
AlkaPlorer ID: AK035008
Synonym: None
IUPAC Name: 3-[(3S,9S)-9-(carboxymethyl)-6,12,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
Structure
SMILES: CC(C)CCCCCCCCCC1CC(O)=NC(CCC(=O)O)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=NC(CC(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=NC(CC(C)C)C(O)=N[C@@H](C(C)C)C(=O)O1
InChI: InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)56-39(25-32(5)6)49(68)57-40(26-33(7)8)50(69)59-42(29-45(64)65)51(70)58-41(27-34(9)10)52(71)60-46(35(11)12)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,67)(H,57,68)(H,58,70)(H,59,69)(H,60,71)(H,62,63)(H,64,65)/t36?,37?,38?,39?,40?,41?,42-,46-/m0/s1
InChIKey: YYDHQQDSOVDOJR-DLNKYFFQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pumilus | Kraussinidae | Terebratulida | Rhynchonellata | Brachiopoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1036.3629999999998
TPSA？: 329.03
MolLogP？: 10.924399999999997
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|