(2E)-N-{3-[(2R,8S,11S,14R,17S)-8,14-bis({3-[(2E)-5-hydroxy-3-methyl-N-oxidopent-2-enamido]propyl})-11,17-bis(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]propyl}-5-hydroxy-3-methyl-N-oxidopent-2-enamide
AlkaPlorer ID: AK325217
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C(=C\C(=O)N([O-])CCC[C@@H]1N=C(O)CN=C(O)[C@@H](CCCN([O-])C(=O)/C=C(\C)CCO)N=C(O)[C@H](CO)N=C(O)[C@@H](CCCN([O-])C(=O)/C=C(\C)CCO)N=C(O)[C@H](CO)N=C1O)CCO
InChI: InChI=1S/C41H64N9O17/c1-25(10-16-51)19-34(57)48(65)13-4-7-28-37(60)42-22-33(56)43-29(8-5-14-49(66)35(58)20-26(2)11-17-52)38(61)46-32(24-55)41(64)45-30(39(62)47-31(23-54)40(63)44-28)9-6-15-50(67)36(59)21-27(3)12-18-53/h19-21,28-32,51-55H,4-18,22-24H2,1-3H3,(H,42,60)(H,43,56)(H,44,63)(H,45,64)(H,46,61)(H,47,62)/q-3/b25-19+,26-20+,27-21+/t28-,29+,30-,31+,32+/m1/s1
InChIKey: SKHHUGSHUNHDGV-WCSCWZOQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ptychodera flava | Ptychodera | Ptychoderidae | None | Enteropneusta | Hemichordata | Metazoa | Eukaryota |
| Ranunculus lanuginosus | Ranunculus | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Fritillaria unibracteata | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 955.009
TPSA？: 426.8000000000001
MolLogP？: 0.8725000000000087
Number of H-Donors: 11
Number of H-Acceptors: 17
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|