Compound Summary

  Compound Information

TCMBANKIN029760

药名:	litorin
别名:	(2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-1-(3H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]am; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]amino]-3-methyl-1-oxo-butan-2-yl]amino]-1-oxo-propan; 55749-97-8; Litorine; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-(benzyl)-2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]amino]-2-keto-ethyl]amino]-1-(3H-imidazol-4-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-1-(3H-imidazol-4-ylmethyl)-2-oxoethyl]amino]-2-oxoethyl]amino]-oxomethyl]-2-methylpropyl]amino]-1-methyl-2-oxoethyl]a; (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]; Ranatesin, 2-de-L-valine-3-de-L-proline-
分子式:	C51H68N14O11S
Smiles:	CC(C)C(C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C5CCC(=O)N5
成分:	HBIN033414
OB_score:	8.877568
CAS_id:	55749-97-8
SymMap_id:	SMIT12405
TCMSP_id:	MOL011522
PubChem_id:	5486808

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   化合物对应的植物

植物ID	拉丁名	药用植物名	药名	来源	功能与主治	使用民族

TCMBANKHE006426

Flos Daturae

洋金花

To relieve asthma and cough, to alleviate pain, and to arrest spasm./Cough and asthma without phlegm, cold pain in heart and Datura stramonium .

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   植物对应的疾病

疾病ID	病名	疾病类型	MeSH	参考文献

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   化合物对应的靶点

靶点ID	基因名	基因别名	描述