Name: NTR 368
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214316727
Cas No:197230-90-3
常用名:NTR 368
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(1S)-1,3-dicarbamoylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-2-[(2S,3R)-2-[(2S)-2-acetamidopropanamido]-3-hydroxybutanamido]-4-methylpentanamido]propanoic acid
IUPAC:(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S,2S)-1-{[(1S)-1,3-dicarbamoylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-2-[(2S,3R)-2-[(2S)-2-acetamidopropanamido]-3-hydroxybutanamido]-4-methylpentanamido]propanoic acid
InChI key:ZUALDXYFESKMAR-SMVIZIMZSA-N

分子式:C69H124N22O19
分子量:1565.886
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(N)=O

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