HIT ID: HIT218676882

Cas No: 124454-83-7

分子式: C43H69N13O13S

分子量: 1008.16

常用名: (2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]propanamido]-3-hydroxypropanamido]acetamido}-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid, Nucleoprotein (118-126)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]propanamido]-3-hydroxypropanamido]acetamido}-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(O)=O

InChI key: JTKGELSXBXWEKZ-NNYISDFCSA-N