Name: trifluoroacetic acid; ypfvepi
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219612336
Cas No:
常用名:trifluoroacetic acid; ypfvepi
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-methylbutanamido]-5-[(2S)-2-{[(1S,2S)-1-carboxy-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid; trifluoroacetic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-methylbutanamido]-5-[(2S)-2-{[(1S,2S)-1-carboxy-2-methylbutyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid; trifluoroacetic acid
InChI key:InChIKey=WWZBMSHWAZZPMV-QCPAGNTFSA-N

分子式:C46H62F3N7O13
分子量:978.033
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O
SMILES:OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O

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