HIT ID: HIT212688309
Cas No:
分子式: C54H81N13O15
分子量: 1152.318
常用名: signal transducer and activator of transcription 6 fragment
常用名: signal transducer and activator of transcription 6 fragment
氢键受体数 (HBA): 19
氢键供体数 (HBD): 18
LogP: -5.394413
IUPAC: 2-[2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido}-3-hydroxypropanamido)-3-carboxypropanamido]-5-carbamimidamidopentanamido}-4-methylpentanamido)-3-methylpentanamido]-3-methylpentanoic acid
IUPAC: 2-[2-(2-{2-[2-(2-{2-[2-(2-amino-3-hydroxypropanamido)-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido}-3-hydroxypropanamido)-3-carboxypropanamido]-5-carbamimidamidopentanamido}-4-methylpentanamido)-3-methylpentanamido]-3-methylpentanoic acid
SMILES: CCC(C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CO)C(C)CC)C(O)=O
SMILES: CCC(C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CO)C(C)CC)C(O)=O
InChI key: PCXDYSTYJAFWLF-UHFFFAOYSA-N
