PRD_000901

thiomuracin A derivative

PRD_000901 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 4G5G.

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Chemical Component Summary
Name	thiomuracin A derivative
Identifiers	n/a
Formula	C₅₃ H₅₄ N₁₃ O₉ S₆
Molecular Weight	1,209.468
Type	PEPTIDE-LIKE
Isomeric SMILES	C[C@H]1[C@H](CN2[C@@H]1[C]3NC(=CS3)[C]4NC(=CS4)[C]5[C@H](CCC(=N5)[C]6NC(=CS6)C(=O)N)[C]7NC(=CS7)C(=O)N[C@H]([C]8NC(=C(S8)C)C(=O)N[C@H]([C]9NC(=CS9)C(=O)N[C@H](C2=O)Cc1ccc(cc1)O)[C@@H](c1ccccc1)O)CC(=O)N)O
InChI	InChI=1S/C53H61N13O9S6/c1-22-36(68)16-66-41(22)52-63-35(21-80-52)49-59-31(17-77-49)39-27(12-13-28(56-39)48-60-32(18-78-48)43(55)71)47-61-33(19-76-47)44(72)57-29(15-37(54)69)50-65-38(23(2)81-50)46(74)64-40(42(70)25-6-4-3-5-7-25)51-62-34(20-79-51)45(73)58-30(53(66)75)14-24-8-10-26(67)11-9-24/h3-11,17-22,27,29-30,36,39-42,47-52,59-63,65,67-68,70H,12-16H2,1-2H3,(H2,54,69)(H2,55,71)(H,57,72)(H,58,73)(H,64,74)/t22-,27-,29-,30-,36-,39?,40-,41-,42+,47?,48?,49?,50?,51?,52?/m0/s1
InChIKey	ATGGYSUQKGVIJU-CHAJGHGESA-N
Composition	Polymer Sequences: SER-BB9-ASN-BB6-H14-BB9-TYR-05N-BB9-BB9-MH6-BB9-NH2
BIRD class	ANTIBIOTIC
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	135
Chiral Atom Count	8
Bond Count	145
Aromatic Bond Count	12

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.