Actinomycin monolactone
AlkaPlorer ID: AK125568
Synonym: None
IUPAC Name: (2S)-2-[[2-[[(2R)-1-[(2R)-2-[[(2R,3S)-2-[[2-amino-4,6-dimethyl-3-oxo-9-[[(3R,6R,7S,10S,16R)-7,11,14-trimethyl-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]carbamoyl]phenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid
Structure
SMILES: CC1=C2OC3=C(C)C=CC(C(O)=N[C@H]4C(O)=N[C@H](C(C)C)C(=O)N5CCC[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](C(O)=N[C@@H](C(=O)N2CCC[C@@H]2C(=O)N(C)CC(=O)N(C)[C@H](C(=O)O)C(C)C)C(C)C)[C@H](C)O)=C(N)C1=O
InChI: InChI=1S/C62H88N12O17/c1-27(2)42(59(85)73-23-17-19-36(73)57(83)69(13)25-38(76)71(15)48(29(5)6)61(87)88)65-55(81)44(33(11)75)67-54(80)40-41(63)50(78)32(10)52-47(40)64-46-35(22-21-31(9)51(46)91-52)53(79)68-45-34(12)90-62(89)49(30(7)8)72(16)39(77)26-70(14)58(84)37-20-18-24-74(37)60(86)43(28(3)4)66-56(45)82/h21-22,27-30,33-34,36-37,42-45,48-49,75H,17-20,23-26,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,80)(H,68,79)(H,87,88)/t33-,34-,36+,37+,42+,43+,44+,45+,48-,49-/m0/s1
InChIKey: RWUXYUFLKBITPJ-LMYCQPCQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes missouriensis | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1273.452999999999
TPSA？: 405.17
MolLogP？: 3.075940000000013
Number of H-Donors: 7
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|