Totopotensamide B
AlkaPlorer ID: AK046740
Synonym: None
IUPAC Name: (8S,9R,10S,11S,12R)-N-[(2R,3R)-1-[[(2S)-1-[[(2R,5S,11R,12R)-5-[(2S)-butan-2-yl]-2-(2-chloro-3,5-dihydroxy-4-methylphenyl)-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](C2=CC(O)=C(C)C(O)=C2Cl)N=C(O)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](N=C(O)CC(=O)C(C)CC(C)C[C@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)N=C(O)CN=C1O
InChI: InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18?,19-,20?,21-,23-,24+,25-,26+,27+,34-,35+,36+,37+,38+,39-/m0/s1
InChIKey: LACOKYPQGAPLII-HYZVQEKKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. 1053U.I.1a.1b | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 970.559
TPSA？: 366.5800000000001
MolLogP？: 5.505920000000006
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|