Actinomycin D; 43β-Oxo
AlkaPlorer ID: AK283188
Synonym: Actinomycin X2, Actinomycin A5, Actinomycin B2, Actinomycin BV, Actinomycin DV, Actinomycin V
IUPAC Name: 2-amino-4,6-dimethyl-3-oxo-1-N-[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-[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)NC2C(=O)NC(C(C)C)C(=O)N4CC(=O)CC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)=C(N)C1=O)C(C(=O)NC1C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC1C)=CC=C3C
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)
InChIKey: GQZJMUMSSGCVFS-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 1269.4209999999991
TPSA？: 377.05
MolLogP？: -0.0953600000000047
Number of H-Donors: 5
Number of H-Acceptors: 19
RingCount: 7
Activities Information
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