PKCη pseudosubstrate inhibitor,myristoylated
HIT218851799
sdf文件结构编辑类似物检索
HIT ID: HIT218851799
Cas No: 908012-19-1
分子式: C101H185N41O23S
分子量: 2373.92
常用名: PKCη pseudosubstrate inhibitor,myristoylated
常用名: PKCη pseudosubstrate inhibitor,myristoylated
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S,3R)-3-hydroxy-2-tetradecanamidobutanamido]pentanamido]hexanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]acetic acid
IUPAC: 2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S,3R)-3-hydroxy-2-tetradecanamidobutanamido]pentanamido]hexanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]propanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]acetic acid
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(O)=O
SMILES: CCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(O)=O
InChI key: MQJYKUNBNZJSRT-OHDHYVTHSA-N
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