Compound ID | 3321

Update compound information

A83586C

Class: Antimicrobial peptide

Agent Type: Natural product; Small molecule;
Spectrum of activity: Gram-positive
Mechanism of action: Unknown
Target Pathogen: Active against Staphylococcus aureus, Streptococcus pyogenes, Streptococcus pneumoniae, and Enterococcus faecalis
Description: Natural product from Streptomyces karnatakensis; fails to protect mice from Staphylococcus aureus infection; also shows activity in cancer cells in vitro; a depsipeptide
Institute where first reported: Eli Lilly and Company
Year first mentioned: 1988
Development status: Experimental
Chemical structure(s):
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Molecular weight: 977.15
Iso. SMILES: CC[C@@](C(=O)N[C@H]1[C@@H](OC(=O)[C@H](NC(=O)[C@@H]2CCCNN2C(=O)[C@H](N(C(=O)[C@@H](N(C(=O)[C@H]3CCCNN3C1=O)O)C)C)C)[C@H](C)O)C(C)C)([C@]4(CC[C@@H]([C@H](O4)/C(=C/[C@H](C)C(=O)/C(=C/C)/C)/C)C)O)O
InChI Key: BJRNAAQGIMGUML-IYSUCPQHSA-N
Can. SMILES: C/C=C(\C)/C(=O)[C@@H](C)/C=C(\C)/[C@@H]1[C@@H](C)CC[C@@]([C@@](CC)(C(=O)N[C@H]2[C@H](C(C)C)OC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H]3CCCNN3C(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C(=O)[C@H]4CCCNN4C2=O)O)O)(O)O1
InChI: InChI=1S/C47H76N8O14/c1-13-25(5)36(57)27(7)23-28(8)38-26(6)19-20-47(66,69-38)46(65,14-2)45(64)51-35-37(24(3)4)68-44(63)34(31(11)56)50-39(58)32-17-15-21-48-53(32)41(60)29(9)52(12)40(59)30(10)55(67)42(61)33-18-16-22-49-54(33)43(35)62/h13,23-24,26-27,29-35,37-38,48-49,56,65-67H,14-22H2,1-12H3,(H,50,58)(H,51,64)/b25-13+,28-23+/t26-,27-,29+,30-,31-,32-,33+,34+,35-,37-,38-,46+,47+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/6449925
Citation: https://www.jstage.jst.go.jp/article/antibiotics1968/41/6/41_6_726/_article/-char/en

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