Dinghupeptin C
AlkaPlorer ID: AK010439
Synonym: None
IUPAC Name: (2S)-N-[(3S,6S,7R,10S,13S,16S,19S)-16-benzyl-3-[3-(2-hydroxyethylamino)-3-oxopropyl]-13-[(4-hydroxyphenyl)methyl]-7,10,14-trimethyl-2,5,9,12,15,18-hexaoxo-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-2-[[(E)-2-methylbut-2-enoyl]amino]pentanediamide
Structure
SMILES: C/C=C(\C)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H]1C(O)=N[C@@H](CCC(O)=NCCO)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(O)=N[C@@H](C)C(=O)O[C@@H]1C
InChI: InChI=1S/C48H65N9O13/c1-6-27(2)41(62)52-33(18-20-38(49)60)42(63)55-40-29(4)70-48(69)28(3)51-44(65)37(26-31-14-16-32(59)17-15-31)56(5)46(67)35(25-30-11-8-7-9-12-30)54-43(64)36-13-10-23-57(36)47(68)34(53-45(40)66)19-21-39(61)50-22-24-58/h6-9,11-12,14-17,28-29,33-37,40,58-59H,10,13,18-26H2,1-5H3,(H2,49,60)(H,50,61)(H,51,65)(H,52,62)(H,53,66)(H,54,64)(H,55,63)/b27-6+/t28-,29+,33-,34-,35-,36-,37-,40-/m0/s1
InChIKey: UQTUSZDBRXRPQR-ITMWRFERSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 976.0980000000002
TPSA？: 347.00000000000006
MolLogP？: 4.596770000000008
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Alpha-chymotrypsin | Inhibition | nan | % | 10.1021/acs.jnatprod.7b01009 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/acs.jnatprod.7b01009 |
| Homo sapiens | A549 | GI | 30.0 | % | 10.1021/acs.jnatprod.7b01009 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/acs.jnatprod.7b01009 |
| Homo sapiens | HeLa | GI | 30.0 | % | 10.1021/acs.jnatprod.7b01009 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/acs.jnatprod.7b01009 |
| Homo sapiens | MCF7 | GI | 30.0 | % | 10.1021/acs.jnatprod.7b01009 |
| Sus scrofa | Pancreatic elastase | Inhibition | nan | % | 10.1021/acs.jnatprod.7b01009 |
| Sus scrofa | Trypsin | Inhibition | nan | % | 10.1021/acs.jnatprod.7b01009 |