PRD_000011

N8-Actinomycin D

PRD_000011 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 209D.

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Chemical Component Summary
Name	N8-Actinomycin D
Identifiers	8-azanyl-4,6-dimethyl-7-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]pyrido[4,3-b][1,4]benzoxazine-1,9-dicarboxamide
Formula	C₆₁ H₈₅ N₁₃ O₁₆
Molecular Weight	1,256.405
Type	PEPTIDE-LIKE
Isomeric SMILES	Cc1cnc(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
InChI	InChI=1S/C61H85N13O16/c1-26(2)40-58(84)73-21-17-19-34(73)56(82)69(13)24-36(75)71(15)47(28(5)6)60(86)88-32(11)42(53(79)65-40)67-52(78)38-39(62)49(77)31(10)51-44(38)64-45-46(63-23-30(9)50(45)90-51)55(81)68-43-33(12)89-61(87)48(29(7)8)72(16)37(76)25-70(14)57(83)35-20-18-22-74(35)59(85)41(27(3)4)66-54(43)80/h23,26-29,32-35,40-43,47-48H,17-22,24-25,62H2,1-16H3,(H,65,79)(H,66,80)(H,67,78)(H,68,81)/t32-,33-,34-,35-,40-,41+,42+,43+,47-,48-/m1/s1
InChIKey	DVAQENANCBGZCP-QPIXHXGJSA-N
Composition	Polymer Sequences: THR-DVA-PRO-SAR-MVA-PXA-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	175
Chiral Atom Count	10
Bond Count	181
Aromatic Bond Count	16

Related Resource References

Resource Name	Reference
PubChem	5288128

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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.