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actinomycin x2

AlkaPlorer ID: AK010979

Synonym: 'Actinomycin V', 'Actinomycin X2'

IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-9-N-[(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

Structure

SMILES: CC1=C2OC3=C(N=C2C(C(O)=N[C@@H]2C(O)=N[C@H](C(C)C)C(=O)N4CC(=O)C[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)=C(N)C1=O)C(C(O)=N[C@@H]1C(O)=N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]1C)=CC=C3C

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InChI: InChI=1S/C62H84N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-33,36-37,42-45,48-49H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t32-,33-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1

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InChIKey: GQZJMUMSSGCVFS-IRFLANFNSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 1269.4209999999991

TPSA？: 391.0100000000001

MolLogP？: 2.734840000000008

Number of H-Donors: 5

Number of H-Acceptors: 19

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1.0 ug.mL-1 10.1021/acs.jnatprod.6b00235
Mycobacterium tuberculosis variant bovis Mycobacterium tuberculosis variant bovis MIC 0.2 ug.mL-1 10.1021/acs.jnatprod.6b00235

Metabolism Information