Name: SAHM1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852077
Cas No:2050906-89-1
常用名:SAHM1
IUPAC:(4S)-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(3S,6R,9S,12R,21S)-3-(3-carbamimidamidopropyl)-21-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-12,21-dimethyl-9-(2-methylpropyl)-2,5,8,11-tetraoxo-6-(sulfanylmethyl)-1,4,7,10-tetraazacyclohenicos-16-en-12-yl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-4-(3-acetamidopropanamido)butanoic acid
IUPAC:(4S)-4-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(3S,6R,9S,12R,21S)-3-(3-carbamimidamidopropyl)-21-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-12,21-dimethyl-9-(2-methylpropyl)-2,5,8,11-tetraoxo-6-(sulfanylmethyl)-1,4,7,10-tetraazacyclohenicos-16-en-12-yl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-4-(3-acetamidopropanamido)butanoic acid
InChI key:BMPJJKUDYSZGHF-WATXCARWSA-N

分子式:C94H162N36O23S
分子量:2196.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

Notch pathway inhibitor - stabilized hydrocarbon-stapled alpha helical peptide. Targets the protein-protein interface and prevents Notch complex assembly.

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