Compound ID | 2477

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Deoxyactagardine B

Class: Antimicrobial peptide

Spectrum of activity: Gram-positive
Details of activity: Inhibits cell wall synthesis
Description: Natural product from Actinoplanes liguriae NCIMB41362; lantibiotic-type
Institute where first reported: Novacta Biosystems Ltd, BioPark Hertfordshire, Welwyn Garden City, Hertfordshire, UK
Year first mentioned: 2010
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1874.24
Iso. SMILES: CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CS[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](SC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CS[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)C(C)C)CC(C)C)NC(=O)CNC2=O)C)C(=O)O)C)C)C(=O)N1)CC(C)C)NC(=O)[C@@H]4CSC[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N4)C(C)C)CC5=CNC6=CC=CC=C65)CO)N)C)CCC(=O)O
InChI Key: PAPAEJBODJVBID-PMLYXVFDSA-N
Can. SMILES: CC[C@@H](C)[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]2CS[C@@H](C)[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)SC[C@H]3C(=O)N[C@@H](C)C(=O)N[C@@H](CS[C@@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N3)NC(=O)CNC2=O)C(=O)O)C(=O)N1)NC(=O)[C@@H]4CSC[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](C(C)C)C(=O)N4)N
InChI: InChI=1S/C81H124N20O23S4/c1-15-38(10)61-77(119)88-47(20-21-58(105)106)69(111)92-53-31-126-41(13)63(101-74(116)52-30-125-29-45(82)66(108)91-51(28-102)67(109)84-26-56(103)87-50(72(114)98-59(36(6)7)75(117)93-52)24-43-25-83-46-19-17-16-18-44(43)46)79(121)90-49(23-35(4)5)71(113)100-64(80(122)99-61)42(14)127-32-54-73(115)86-39(11)65(107)95-55(81(123)124)33-128-40(12)62(96-57(104)27-85-68(53)110)78(120)89-48(22-34(2)3)70(112)97-60(37(8)9)76(118)94-54/h16-19,25,34-42,45,47-55,59-64,83,102H,15,20-24,26-33,82H2,1-14H3,(H,84,109)(H,85,110)(H,86,115)(H,87,103)(H,88,119)(H,89,120)(H,90,121)(H,91,108)(H,92,111)(H,93,117)(H,94,118)(H,95,107)(H,96,104)(H,97,112)(H,98,114)(H,99,122)(H,100,113)(H,101,116)(H,105,106)(H,123,124)/t38-,39+,40+,41+,42+,45-,47+,48+,49+,50+,51+,52+,53+,54+,55+,59+,60+,61+,62+,63-,64-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/156580386
Citation: https://www.nature.com/articles/ja201048

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