HIT ID: HIT218700923

Cas No:

分子式: C157H263N57O42

分子量: 3621.188

常用名: (2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}propanamido]hexanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-hydroxypropanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-3-(3H-imidazol-4-yl)propanamido]-3-methylpentanoic acid; acetic acid, TAT-DEF-Elk-1 acetate, TAT-DEF-Elk-1 醋酸盐

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]hexanamido]hexanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}propanamido]hexanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-hydroxypropanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-methylpentanoic acid; acetic acid

SMILES: CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(C)C)C(O)=O

InChI key: KVNCJGZRIGPVQH-OLGNOQGRSA-N