Actinomycin Z3
AlkaPlorer ID: AK030517
Synonym: '', 'Actinomycin Z3'
IUPAC Name: 2-amino-1-N-[(3S,6S,7R,10S,16R,19S)-7-(chloromethyl)-10,11,14,19-tetramethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(3S,6S,7R,10R,16R,17S,19R)-17-hydroxy-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
Structure
SMILES: CC1=C2OC3=C(C)C=CC(C(O)=N[C@@H]4C(O)=N[C@@H](C(C)C)C(=O)N5[C@H](C)C[C@H](O)[C@@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@@H]4C)=C3N=C2C(C(O)=N[C@@H]2C(O)=N[C@@H](C(C)C)C(=O)N3[C@H](CC(=O)[C@@H]3C)C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@H]2CCl)=C(N)C1=O
InChI: InChI=1S/C62H83ClN12O18/c1-24(2)42-58(86)74-28(8)19-36(77)49(74)60(88)71(14)23-39(79)73(16)48(26(5)6)62(90)91-32(12)44(55(83)66-42)68-53(81)33-18-17-27(7)51-45(33)65-47-40(41(64)50(80)29(9)52(47)93-51)54(82)69-46-37(21-63)92-61(89)31(11)72(15)38(78)22-70(13)57(85)34-20-35(76)30(10)75(34)59(87)43(25(3)4)67-56(46)84/h17-18,24-26,28,30-32,34,36-37,42-44,46,48-49,77H,19-23,64H2,1-16H3,(H,66,83)(H,67,84)(H,68,81)(H,69,82)/t28-,30+,31+,32-,34-,36+,37+,42+,43+,44+,46+,48-,49-/m1/s1
InChIKey: PLQQUUFBVCDPMY-FXTOUDPXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces fradiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1319.8649999999996
TPSA？: 411.24
MolLogP？: 2.065440000000011
Number of H-Donors: 6
Number of H-Acceptors: 20
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|