PRD_000221

Nosiheptide

PRD_000221 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2ZJP.

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Chemical Component Summary
Name	Nosiheptide
Formula	C₅₁ H₄₆ N₁₃ O₁₁ S₆
Molecular Weight	1,209.381
Type	PEPTIDE-LIKE
Isomeric SMILES	C/C=C\1/c2nc(cs2)C(=O)N[C@H]3C[C@@H](C(=O)OCc4cccc5c4c(c([nH]5)C(=O)SC[C@@H](c6nc(cs6)C7=[N]=C(CC[C@H]7c8nc(cs8)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)c9nc(cs9)C(=O)NC(=C)C(=O)N)NC(=O)c1csc3n1)C)O
InChI	InChI=1S/C51H46N13O11S6/c1-5-24-46-61-30(16-78-46)41(69)57-27-11-34(66)50(73)75-12-22-7-6-8-25-35(22)19(2)36(54-25)51(74)81-18-33(58-42(70)31-17-80-48(27)63-31)49-59-28(13-77-49)38-23(45-60-32(14-76-45)43(71)64-37(21(4)65)44(72)56-24)9-10-26(55-38)47-62-29(15-79-47)40(68)53-20(3)39(52)67/h5-8,13-17,21,23,27,33-34,37,54,65-66H,3,9-12,18H2,1-2,4H3,(H2,52,67)(H,53,68)(H,56,72)(H,57,69)(H,58,70)(H,64,71)
InChIKey	YBIKXSCMCFEFTI-UHFFFAOYSA-N
Composition	Polymer Sequences: SER-BB9-THR-DBU-BB9-3GL-BB9-CYS-BB9-MH6-BB9-DHA-NH2
BIRD class	ANTIBIOTIC
Represented As	POLYMER
Compound Details	n/a
Description	n/a

Chemical Details
Formal Charge	0
Atom Count	127
Chiral Atom Count	6
Bond Count	136
Aromatic Bond Count	10

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.