(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-N-[(1S,2S)-1-carbamoyl-2-methyl-butyl]hexanamide

ID: ALA5278531

Chembl Id: CHEMBL5278531

Max Phase: Preclinical

Molecular Formula: C80H155N21O14

Molecular Weight: 1635.25

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(N)=O

Standard InChI:  InChI=1S/C80H155N21O14/c1-15-47(8)61(68(88)103)96-72(107)57(37-25-31-43-84)89-69(104)54(34-22-28-40-81)93-76(111)64(50(11)18-4)100-79(114)66(52(13)20-6)98-74(109)59(39-27-33-45-86)91-71(106)56(36-24-30-42-83)94-77(112)65(51(12)19-5)101-80(115)67(53(14)21-7)97-73(108)58(38-26-32-44-85)90-70(105)55(35-23-29-41-82)92-75(110)63(49(10)17-3)99-78(113)62(48(9)16-2)95-60(102)46-87/h47-59,61-67H,15-46,81-87H2,1-14H3,(H2,88,103)(H,89,104)(H,90,105)(H,91,106)(H,92,110)(H,93,111)(H,94,112)(H,95,102)(H,96,107)(H,97,108)(H,98,109)(H,99,113)(H,100,114)(H,101,115)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,65-,66-,67-/m0/s1

Standard InChI Key:  MQJINNGYJPLCKW-QUIPCGDJSA-N

Alternative Forms

1. Parent:

   

   ALA5278531

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1635.25

Molecular Weight (Monoisotopic): 1634.2062

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References

1. Cao R, Li L, Xu Z, Li J, Wu D, Wang Y, Zhu H..  (2023)  The lipidation and glycosylation enabling bioactivity enhancement and structural change of antibacterial peptide G3.,  90  [PMID:37182609] [10.1016/j.bmcl.2023.129322]

Source

Source(1):

• Scientific Literature