PRD_000007

Actinomycin X2

PRD_000007 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1QFI.

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Chemical Component Summary
Name	Actinomycin X2
Identifiers	2-azanyl-4,6-dimethyl-3-oxidanylidene-N1-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15,18-hexakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-N9-[(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 H₈₄ N₁₂ O₁₇
Molecular Weight	1,269.401
Type	PEPTIDE-LIKE
Isomeric SMILES	Cc1ccc(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]5CC(=O)CN5C(=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/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
InChIKey	GQZJMUMSSGCVFS-KSDZZSNTSA-N
Composition	Polymer Sequences: THR-DVA-DPL-SAR-MVA-PXZ-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	10486576
ChEMBL	CHEMBL4287110

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 R01GM157729.