HIT218662291 - (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-methylpentanamido]propanamido]hexanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]propanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid, CD36 Peptide P (93-110), Cys conjugated

(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-methylpentanamido]propanamido]hexanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]propanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid, CD36 Peptide P (93-110), Cys conjugated

sdf文件结构编辑类似物检索

HIT ID: HIT218662291

Cas No: 143257-75-4

分子式: C96H151N29O33S

分子量: 2271.49

常用名: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-methylpentanamido]propanamido]hexanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]propanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid, CD36 Peptide P (93-110), Cys conjugated

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-phenylpropanamido]-4-methylpentanamido]propanamido]hexanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]propanamido]-4-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}butanoic acid

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(O)=O

InChI key: FUUCBPLODPITMD-YVKPXBAWSA-N