HIT ID: HIT218833002

Cas No:

分子式: C143H228N46O31S3

分子量: 3183.87

常用名: acetic acid; lactoferricin, Lactoferrin (17-41) acetate

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

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

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

InChI key: VODWFGYAYSDZHD-IQHDOUJPSA-N