Name: Bam 1745
Rating: 5 (10 reviews)

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sdf 文件

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类似物检索

HIT ID:HIT212714968
Cas No:133136-47-7
常用名:Bam 1745
别名:Pyroglutamyl peptide bam-1745, Bam-1745, Bam1745
别名:Pyroglutamyl peptide bam-1745, Bam-1745, Bam1745
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-carboxy-2-[(2S)-3-(4-hydroxyphenyl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]propanamido]pentanamido]-3-methylbutanamido]propanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}propyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-carboxy-2-[(2S)-3-(4-hydroxyphenyl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]propanamido]pentanamido]-3-methylbutanamido]propanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}propyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
InChI key:JHRLXGDAMQJZGK-ARICVWHCSA-N

分子式:C79H116N20O25
分子量:1745.912
氢键供体数 (HBD):25
氢键受体数 (HBA):29
LogP:-8.554218
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

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