Compound ID | 1327

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Human Defensin

Class: Antimicrobial peptide

Spectrum of activity: Gram-negative
Institute where first reported: INSERM, IAME, UMR 1137, Paris, France Université Paris Diderot, Sorbonne Paris Cité, Paris, France AP-HP, Department of Epidemiology, Biostatistic and Clinical Research, Bichat Hospital, Paris, France
Year first mentioned: 1997
Highest developmental phase: Preclinical
Chemical structure(s):
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Molecular weight: 3442.04
Iso. SMILES: CCC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N3)CC5=CC=C(C=C5)O)NC(=O)C(C)N)C(=O)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC2=O)C(C)CC)CC6=CC=C(C=C6)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)CC7=CNC8=CC=CC=C87)C)CC9=CC=CC=C9)C(=O)N1)C)C(C)CC)CCCNC(=N)N)C(C)O)CC%10=CC=C(C=C%10)O)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)O)C
InChI Key: KRJOFJHOZZPBKI-UHFFFAOYSA-N
Can. SMILES: CCC(C)C1C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NC(C(C)O)C(=O)NC3CSSCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)N5CCCC5C(=O)NC(C)C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(CC6=CC=C(C=C6)O)C(=O)N4)NC(=O)C(C)N)C(=O)O)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(C)NC(=O)C(CC8=CNC9=C8C=CC=C9)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC%10=CC=C(C=C%10)O)NC(=O)C(C(C)CC)NC3=O)C(=O)N1
InChI: InChI=1S/C150H222N44O38S6/c1-14-74(6)116-142(227)171-78(10)121(206)166-64-112(200)173-97(49-51-115(203)204)129(214)175-93(32-23-53-162-148(155)156)127(212)174-94(33-24-54-163-149(157)158)128(213)180-99(59-83-36-42-87(196)43-37-83)125(210)168-66-114(202)190-119(81(13)195)144(229)188-108-71-236-233-68-105-136(221)176-95(34-25-55-164-150(159)160)130(215)193-118(76(8)16-3)145(230)194-56-26-35-110(194)141(226)170-80(12)123(208)185-107(139(224)191-116)70-235-234-69-106(138(223)189-109(146(231)232)72-238-237-67-104(184-120(205)77(9)151)137(222)181-101(135(220)186-105)60-84-38-44-88(197)45-39-84)187-134(219)100(58-82-27-18-17-19-28-82)178-122(207)79(11)169-131(216)103(62-86-63-165-91-30-21-20-29-90(86)91)182-132(217)98(57-73(4)5)179-126(211)92(31-22-52-161-147(153)154)172-113(201)65-167-124(209)96(48-50-111(152)199)177-133(218)102(61-85-40-46-89(198)47-41-85)183-143(228)117(75(7)15-2)192-140(108)225/h17-21,27-30,36-47,63,73-81,92-110,116-119,165,195-198H,14-16,22-26,31-35,48-62,64-72,151H2,1-13H3,(H2,152,199)(H,166,206)(H,167,209)(H,168,210)(H,169,216)(H,170,226)(H,171,227)(H,172,201)(H,173,200)(H,174,212)(H,175,214)(H,176,221)(H,177,218)(H,178,207)(H,179,211)(H,180,213)(H,181,222)(H,182,217)(H,183,228)(H,184,205)(H,185,208)(H,186,220)(H,187,219)(H,188,229)(H,189,223)(H,190,202)(H,191,224)(H,192,225)(H,193,215)(H,203,204)(H,231,232)(H4,153,154,161)(H4,155,156,162)(H4,157,158,163)(H4,159,160,164)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/163325333
Citation: https://aac.asm.org/content/62/2/e01504-17

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