Name: LFF 571
Rating: 5 (10 reviews)

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HIT ID:HIT214318499
Cas No:1160959-55-6
常用名:LFF 571
别名:LFF-571, LFF571
IUPAC:(1r,4r)-4-{[(4-carboxybutyl)({2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[(methylcarbamoyl)methyl]-16,23,30,33-tetraoxo-25-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^{2,5}.1^{12,15}.1^{19,22}.1^{26,29}.0^{6,11}]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl})carbamoyl]oxy}cyclohexane-1-carboxylic acid
IUPAC:(1r,4r)-4-{[(4-carboxybutyl)({2-[(18S,25S,35S)-35-[(S)-hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-18-[(methylcarbamoyl)methyl]-16,23,30,33-tetraoxo-25-(propan-2-yl)-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1^{2,5}.1^{12,15}.1^{19,22}.1^{26,29}.0^{6,11}]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl})carbamoyl]oxy}cyclohexane-1-carboxylic acid
InChI key:GNLYKLDXQZHYTR-LMOGNUDZSA-N

分子式:C60H63N13O13S6
分子量:1366.6
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)CNC(=O)c2nc(sc2COC)[C@@H](NC(=O)c2nc(sc2C)[C@H](CC(=O)NC)NC(=O)c2csc(n2)-c2ccc(nc2-c2csc(n2)-c2csc1n2)-c1nc(cs1)N(CCCCC(O)=O)C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O)C(C)C)[C@@H](O)c1ccccc1
SMILES:[H][C@]1(NC(=O)CNC(=O)c2nc(sc2COC)[C@@H](NC(=O)c2nc(sc2C)[C@H](CC(=O)NC)NC(=O)c2csc(n2)-c2ccc(nc2-c2csc(n2)-c2csc1n2)-c1nc(cs1)N(CCCCC(O)=O)C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O)C(C)C)[C@@H](O)c1ccccc1

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