PRD_000009

Actinomycin Z3

PRD_000009 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1A7Z.

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Chemical Component Summary
Name	Actinomycin Z3
Identifiers	2-azanyl-N1-[(3R,6S,7S,10S,16S,19S)-7-(chloromethyl)-10,11,14,19-tetramethyl-2,5,9,12,15,18-hexakis(oxidanylidene)-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxidanylidene-N9-[(3R,6S,7R,10S,16S,17S,19S)-7,11,14,19-tetramethyl-17-oxidanyl-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 H₈₃ Cl N₁₂ O₁₈
Molecular Weight	1,319.845
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)[C@@H](N5C(=O)[C@H](NC4=O)C(C)C)C)C)C)C)CCl)N)C)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7[C@H](C[C@@H](N7C(=O)[C@H](NC6=O)C(C)C)C)O)C)C)C(C)C)C
InChI	InChI=1S/C62H83ClN12O18/c1-24(2)42-58(86)74-28(8)19-36(77)49(74)60(88)71(14)23-39(79)73(16)48(26(5)6)62(90)91-32(12)44(55(83)66-42)68-53(81)33-18-17-27(7)51-45(33)65-47-40(41(64)50(80)29(9)52(47)93-51)54(82)69-46-37(21-63)92-61(89)31(11)72(15)38(78)22-70(13)57(85)34-20-35(76)30(10)75(34)59(87)43(25(3)4)67-56(46)84/h17-18,24-26,28,30-32,34,36-37,42-44,46,48-49,77H,19-23,64H2,1-16H3,(H,66,83)(H,67,84)(H,68,81)(H,69,82)/t28-,30?,31-,32-,34-,36+,37-,42?,43+,44-,46+,48-,49-/m0/s1
InChIKey	PLQQUUFBVCDPMY-MVDGUPMJSA-N
Composition	Polymer Sequences: CTH-DVA-POM-SAR-MAA-PXZ-THR-DVA-H5M-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	13
Bond Count	182
Aromatic Bond Count	16

Related Resource References

Resource Name	Reference
PubChem	21603439

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.