Cecropin P1

ID: ALA4162601

Chembl Id: CHEMBL4162601

Cas Number: 125667-96-1

PubChem CID: 16130477

Max Phase: Preclinical

Molecular Formula: C147H253N45O43

Molecular Weight: 3338.91

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC

Standard InChI:  InChI=1S/C147H253N45O43/c1-18-75(9)113(140(229)167-81(15)120(209)188-114(76(10)19-2)141(230)168-82(16)121(210)189-115(77(11)20-3)142(231)178-94(47-50-106(154)198)123(212)164-66-108(200)163-68-110(202)192-60-36-46-105(192)139(228)179-97(145(234)235)45-35-59-161-147(158)159)187-109(201)67-165-124(213)95(48-51-111(203)204)176-138(227)104(72-196)186-143(232)116(78(12)21-4)190-130(219)93(44-34-58-160-146(156)157)174-127(216)90(41-26-31-55-150)172-125(214)88(39-24-29-53-148)170-118(207)79(13)166-136(225)102(70-194)184-135(224)101(64-107(155)199)183-129(218)96(49-52-112(205)206)177-132(221)98(61-73(5)6)181-128(217)91(42-27-32-56-151)173-126(215)89(40-25-30-54-149)171-119(208)80(14)169-144(233)117(83(17)197)191-131(220)92(43-28-33-57-152)175-137(226)103(71-195)185-133(222)99(62-74(7)8)182-134(223)100(180-122(211)86(153)69-193)63-84-65-162-87-38-23-22-37-85(84)87/h22-23,37-38,65,73-83,86,88-105,113-117,162,193-197H,18-21,24-36,39-64,66-72,148-153H2,1-17H3,(H2,154,198)(H2,155,199)(H,163,200)(H,164,212)(H,165,213)(H,166,225)(H,167,229)(H,168,230)(H,169,233)(H,170,207)(H,171,208)(H,172,214)(H,173,215)(H,174,216)(H,175,226)(H,176,227)(H,177,221)(H,178,231)(H,179,228)(H,180,211)(H,181,217)(H,182,223)(H,183,218)(H,184,224)(H,185,222)(H,186,232)(H,187,201)(H,188,209)(H,189,210)(H,190,219)(H,191,220)(H,203,204)(H,205,206)(H,234,235)(H4,156,157,160)(H4,158,159,161)/t75-,76-,77-,78-,79-,80-,81-,82-,83+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-,116-,117-/m0/s1

Standard InChI Key:  PRIVBYDFWSFUFP-RJLJEYQFSA-N

Alternative Forms

1. Parent:

   

   ALA4162601

   Cecropin P1

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 3338.91

Molecular Weight (Monoisotopic): 3336.8994

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References

1. Moe MK, Haug T, Sydnes MO, Sperstad SV, Li C, Vaagsfjord LC, de la Vega E, Stensvåg K..  (2018)  Paralithocins, Antimicrobial Peptides with Unusual Disulfide Connectivity from the Red King Crab, Paralithodes camtschaticus.,  81  (1): [PMID:29338238] [10.1021/acs.jnatprod.7b00780]

Source

Source(1):

• Scientific Literature