Name: Lactoferrin (17-41) acetate
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HIT ID:HIT218833002
Cas No:
Common Name:Lactoferrin (17-41) acetate
alias:Lfcin B acetate, Lactoferricin B acetate
alias:Lfcin B acetate, Lactoferricin B acetate
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(3S,6S,9S,12R,17R,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,53S,58aS)-17-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]-41,44-bis(4-aminobutyl)-6-[(2S)-butan-2-yl]-20,23,35-tris(3-carbamimidamidopropyl)-29-(2-carbamoylethyl)-9-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-26,32-bis[(1H-indol-3-yl)methyl]-53-methyl-47-(2-methylpropyl)-38-[2-(methylsulfanyl)ethyl]-1,4,7,10,18,21,24,27,30,33,36,39,42,45,48,51,54-heptadecaoxo-hexapentacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaazacyclohexapentacontan-12-yl]formamido}-3-methylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]propanamido]-3-phenylpropanoic acid; acetic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(3S,6S,9S,12R,17R,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,53S,58aS)-17-[(2S)-6-amino-2-[(2S)-2-amino-3-phenylpropanamido]hexanamido]-41,44-bis(4-aminobutyl)-6-[(2S)-butan-2-yl]-20,23,35-tris(3-carbamimidamidopropyl)-29-(2-carbamoylethyl)-9-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-26,32-bis[(1H-indol-3-yl)methyl]-53-methyl-47-(2-methylpropyl)-38-[2-(methylsulfanyl)ethyl]-1,4,7,10,18,21,24,27,30,33,36,39,42,45,48,51,54-heptadecaoxo-hexapentacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaazacyclohexapentacontan-12-yl]formamido}-3-methylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]propanamido]-3-phenylpropanoic acid; acetic acid
InChIKey:VODWFGYAYSDZHD-IQHDOUJPSA-N

Molecular Formula:C143H228N46O31S3
Molecular Weight:3183.87
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1
SMILES:CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1

Lactoferrin 17-41 (Lactoferricin B) acetate, a peptide derived from bovine lactoferrin spanning residues 17-41, exhibits broad-spectrum antimicrobial properties against Gram-positive and Gram-negative bacteria, viruses, protozoa, and fungi. Additionally, this compound demonstrates antitumor activities [1] [2].

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