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