Aspartocin E
AlkaPlorer ID: AK047458
Synonym: None
IUPAC Name: (3S)-4-[[(3S,7S,13S,16R,22S,28S,31S,34R)-16-(1-aminoethyl)-31-(1-carboxyethyl)-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-(9-methyldec-3-enoylamino)-4-oxobutanoic acid
Structure
SMILES: CC(C)CCCCC=CCC(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H]1C(=O)N2CCCC[C@@H]2C(O)=N[C@@H](C(C)C(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@H](C(C)N)C(O)=N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(O)=NC1C
InChI: InChI=1S/C56H87N13O20/c1-27(2)16-11-9-8-10-12-19-37(70)61-34(24-42(77)78)49(81)67-46-31(7)60-50(82)36-18-15-21-69(36)54(86)43(28(3)4)65-53(85)45(30(6)57)64-39(72)26-59-47(79)32(22-40(73)74)62-38(71)25-58-48(80)33(23-41(75)76)63-52(84)44(29(5)56(88)89)66-51(83)35-17-13-14-20-68(35)55(46)87/h10,12,27-36,43-46H,8-9,11,13-26,57H2,1-7H3,(H,58,80)(H,59,79)(H,60,82)(H,61,70)(H,62,71)(H,63,84)(H,64,72)(H,65,85)(H,66,83)(H,67,81)(H,73,74)(H,75,76)(H,77,78)(H,88,89)/t29?,30?,31?,32-,33-,34-,35+,36-,43-,44-,45+,46-/m0/s1
InChIKey: RWKODFJGLUVNKT-FNKUNXQOSA-N
Reference
Two novel amphomycin analogues from<i>Streptomyces canus</i>strain FIM-0916
PubChem CID: 139587108
LOTUS: LTS0026478
{NPAtlas: NPA014444
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces canus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1262.3829999999998
TPSA？: 541.7400000000001
MolLogP？: 4.216500000000009
Number of H-Donors: 15
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|