H2N-KL-Tic-Oic-GK-Tic-Oic-F-Tic-Oic-GK-Tic-Oic-F-Tic-Oic-GK-Tic-Oic-KKKK-CONH2

ID: ALA2368936

Chembl Id: CHEMBL2368936

PubChem CID: 73345354

Max Phase: Preclinical

Molecular Formula: C192H269N35O26

Molecular Weight: 3483.48

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)N3Cc4ccccc4C[C@H]3C(=O)N3C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N4Cc5ccccc5C[C@H]4C(=O)N4C[C@@H](C(=O)N[C@@H](Cc5ccccc5)C(=O)N5Cc6ccccc6C[C@H]5C(=O)N5C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N6Cc7ccccc7C[C@H]6C(=O)N6C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)C7CCCCC76)C6CCCCC65)C5CCCCC54)C4CCCCC43)C3CCCCC32)C2CCCCC21

Standard InChI:  InChI=1S/C192H269N35O26/c1-117(2)93-152(215-177(238)144(201)71-33-41-85-193)184(245)219-108-129-62-18-12-56-123(129)99-164(219)190(251)222-111-138(132-65-21-27-79-155(132)222)171(232)203-102-167(228)207-150(77-39-47-91-199)182(243)217-106-127-60-16-10-54-121(127)97-162(217)188(249)226-115-142(136-69-25-31-83-159(136)226)175(236)213-154(95-119-51-7-4-8-52-119)186(247)221-110-131-64-20-14-58-125(131)101-166(221)192(253)224-113-140(134-67-23-29-81-157(134)224)173(234)205-104-169(230)208-151(78-40-48-92-200)183(244)218-107-128-61-17-11-55-122(128)98-163(218)189(250)227-116-143(137-70-26-32-84-160(137)227)176(237)214-153(94-118-49-5-3-6-50-118)185(246)220-109-130-63-19-13-57-124(130)100-165(220)191(252)223-112-139(133-66-22-28-80-156(133)223)172(233)204-103-168(229)206-149(76-38-46-90-198)181(242)216-105-126-59-15-9-53-120(126)96-161(216)187(248)225-114-141(135-68-24-30-82-158(135)225)174(235)210-146(73-35-43-87-195)179(240)212-148(75-37-45-89-197)180(241)211-147(74-36-44-88-196)178(239)209-145(170(202)231)72-34-42-86-194/h3-20,49-64,117,132-166H,21-48,65-116,193-201H2,1-2H3,(H2,202,231)(H,203,232)(H,204,233)(H,205,234)(H,206,229)(H,207,228)(H,208,230)(H,209,239)(H,210,235)(H,211,241)(H,212,240)(H,213,236)(H,214,237)(H,215,238)/t132?,133?,134?,135?,136?,137?,138-,139-,140-,141-,142-,143-,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155?,156?,157?,158?,159?,160?,161+,162+,163+,164+,165+,166+/m1/s1

Standard InChI Key:  OZQYVNRRDKMAQX-HUXVQYGKSA-N

Alternative Forms

1. Parent:

   

   ALA2368936

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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: 3483.48

Molecular Weight (Monoisotopic): 3481.0803

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References

1. Venugopal D, Klapper D, Srouji AH, Bhonsle JB, Borschel R, Mueller A, Russell AL, Williams BC, Hicks RP..  (2010)  Novel antimicrobial peptides that exhibit activity against select agents and other drug resistant bacteria.,  18  (14): [PMID:20558071] [10.1016/j.bmc.2010.05.065]

Source

Source(1):

• Scientific Literature