Name: Lamprey LH-RH I
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912448
Cas No:102634-23-1
常用名:Lamprey LH-RH I
IUPAC:(4S)-4-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]propanamido]propanamido]-4-methylpentanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]propanamido]propanamido]-4-methylpentanamido]butanoic acid
InChI key:InChIKey=XZZCHZWQCBZUFZ-DXYQMANYSA-N

分子式:C58H79N15O15
分子量:1226.36
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

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