Name: Corazonin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213827799
Cas No:122929-08-2
常用名:Corazonin
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1,2-dicarbamoylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-phenylpropanamido]pentanediamide
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1,2-dicarbamoylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-phenylpropanamido]pentanediamide
InChI key:UOABGUNWRLWTJU-YPKDOBRCSA-N

分子式:C62H84N18O18
分子量:1369.462
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(N)=O
SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(N)=O

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