Name: Phyllomedusin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850915
Cas No:26145-48-2
常用名:Phyllomedusin
IUPAC:(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]-2-{[(2S)-1-[(2S)-3-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoyl]pyrrolidin-2-yl]formamido}butanediamide
IUPAC:(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S,2S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]-2-{[(2S)-1-[(2S)-3-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoyl]pyrrolidin-2-yl]formamido}butanediamide
InChI key:GGIXGYYACCFXOQ-GUXVTFBTSA-N

分子式:C52H82N16O13S
分子量:1171.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O

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