1.0 2026-09-21 20:20:33 UTC 2026-09-21 20:20:33 UTC FDB117042 DACTINOMYCIN 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-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]phenoxazine-1,9-dicarboxamide 2-amino-N1,N9-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide C62H86N12O16 1255.417 1254.628474764 N1,N9-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide actinomycin D [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1 RJURFGZVJUQBHK-IIXSONLDSA-N belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Cyclic depsipeptides Organic compounds Organic acids and derivatives Peptidomimetics Depsipeptides Aromatic heteropolycyclic compounds Alpha amino acid esters Azacyclic compounds Benzenoids Carboxylic acid esters Cyclic ketones Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Lactams Lactones Macrolactams Macrolide lactams N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Phenoxazines Primary amines Pyrrolidines Secondary carboxylic acid amides Tertiary carboxylic acid amides Vinylogous amides Alpha-amino acid ester Alpha-amino acid or derivatives Amine Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Cyclic depsipeptide Cyclic ketone Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Lactam Lactone Macrolactam Macrolide lactam N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenoxazine Primary amine Pyrrolidine Secondary carboxylic acid amide Tertiary carboxylic acid amide Vinylogous amide actinomycin logp 2.76 ALOGPS logs -4.80 ALOGPS solubility 2.00e-02 g/l ALOGPS logp -0.097 ChemAxon pka_strongest_acidic 10.52 ChemAxon pka_strongest_basic -0.13 ChemAxon iupac N1,N9-bis[(6S,9R,10S,13R,18aS)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide ChemAxon average_mass 1255.417 ChemAxon mono_mass 1254.628474764 ChemAxon smiles [H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C ChemAxon formula C62H86N12O16 ChemAxon inchi InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1 ChemAxon inchikey RJURFGZVJUQBHK-IIXSONLDSA-N ChemAxon polar_surface_area 355.54 ChemAxon refractivity 326.17 ChemAxon polarizability 129.2 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 297262 Specdb::MsMs 297263 Specdb::MsMs 297264 Specdb::MsMs 338746 Specdb::MsMs 338747 Specdb::MsMs 338748 Specdb::MsMs 2253147 Specdb::MsMs 2253300 Specdb::MsMs 2255183 Specdb::MsMs 2255398 Specdb::MsMs 2257236 Specdb::MsMs 2257332 Specdb::MsMs 2259274 Specdb::MsMs 2259306 Specdb::MsMs 3219835 Specdb::MsMs 3219836 Specdb::MsMs 3219837 Specdb::MsMs 3219838 Specdb::MsMs 3219839 Specdb::MsMs 3219840 Specdb::NmrOneD 153450 Specdb::NmrOneD 153451 Specdb::NmrOneD 153452 Specdb::NmrOneD 153453 Specdb::NmrOneD 153454 Specdb::NmrOneD 153455 Specdb::NmrOneD 153456 Specdb::NmrOneD 153457 Specdb::NmrOneD 153458 Specdb::NmrOneD 153459 Specdb::NmrOneD 153460 Specdb::NmrOneD 153461 Specdb::NmrOneD 153462 Specdb::NmrOneD 153463 Specdb::NmrOneD 153464 Specdb::NmrOneD 153465 Specdb::NmrOneD 153466 Specdb::NmrOneD 153467 Specdb::NmrOneD 153468 Specdb::NmrOneD 153469