Compound ID | 682

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Calpinactam

Class: Antimicrobial peptide

Agent Type: Natural product; Small molecule;
Spectrum of activity: Antimycobacterial
Mechanism of action: Unknown
Target Pathogen: Active against Mycobacterium smegmatis and Mycobacterium tuberculosis
Description: Natural product from Mortierella alpina FKI-4905
Institute where first reported: Kitasato Univ., Japan.
Year first mentioned: 2009
Development status: Experimental
Chemical structure(s):
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Molecular weight:
Iso. SMILES: CC[C@H](C)C(C(=O)N[C@H]1CCCCNC1=O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=CC=C3)N
InChI Key: GPDRWULXOJRYOR-KOWARKBQSA-N
Can. SMILES: CC[C@H](C)C(C(=O)N[C@H]1CCCCNC1=O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=CC=C3)N
InChI: InChI=1S/C38H57N9O8/c1-5-23(4)32(38(55)44-27-13-9-10-16-41-34(27)51)47-35(52)28(14-15-31(48)49)43-37(54)30(19-25-20-40-21-42-25)46-36(53)29(17-22(2)3)45-33(50)26(39)18-24-11-7-6-8-12-24/h6-8,11-12,20-23,26-30,32H,5,9-10,13-19,39H2,1-4H3,(H,40,42)(H,41,51)(H,43,54)(H,44,55)(H,45,50)(H,46,53)(H,47,52)(H,48,49)/t23-,26+,27-,28+,29-,30-,32?/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/46176644
Citation: https://doi.org/10.1038/ja.2010.14

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