PRD_000006

8-Fluoro-Actinomycin D

PRD_000006 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 316D.

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Chemical Component Summary
Name	8-Fluoro-Actinomycin D
Identifiers	2-azanyl-8-fluoranyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Formula	C₆₂ H₈₅ F N₁₂ O₁₆
Molecular Weight	1,273.408
Type	PEPTIDE-LIKE
Isomeric SMILES	Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)N[C@H]4[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]5CCCN5C(=O)[C@H](NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)F
InChI	InChI=1S/C62H85FN12O16/c1-26(2)42-59(85)74-21-17-19-35(74)57(83)70(13)24-37(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)39-34(63)23-30(9)51-46(39)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)38(77)25-71(14)58(84)36-20-18-22-75(36)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,35-36,42-45,48-49H,17-22,24-25,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t32-,33-,35-,36?,42+,43-,44+,45+,48-,49-/m1/s1
InChIKey	MBHBKYUJERKJAW-AKTOUWNJSA-N
Composition	Polymer Sequences: THR-DVA-PRO-SAR-MVA-PXF-THR-DVA-PRO-SAR-MVA
BIRD class	ANTIBIOTIC
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	176
Chiral Atom Count	10
Bond Count	182
Aromatic Bond Count	16

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.