Name: GR 82334
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218852045
Cas No:129623-01-4
常用名:GR 82334
IUPAC:(3S)-4-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(2S)-1-[(5S)-7-[(1S)-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}pentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-4-oxo-3-[(2S)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]butanoic acid
IUPAC:(3S)-4-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(2S)-1-[(5S)-7-[(1S)-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}pentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-4-oxo-3-[(2S)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]butanoic acid
InChI key:KWECNVXXONDEKG-JTCMYMKESA-N

分子式:C69H91N15O16
分子量:1386.576
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
SMILES:CC(C)C[C@H](N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

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