Name: Amythiamicin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317836
Cas No:156620-48-3
常用名:Amythiamicin B
IUPAC:N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-[(18S,25S,35S)-21-methyl-18-[(methylcarbamoyl)methyl]-16,23,30,33-tetraoxo-25,35-bis(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-thiazole-4-carboxamide
IUPAC:N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-[(18S,25S,35S)-21-methyl-18-[(methylcarbamoyl)methyl]-16,23,30,33-tetraoxo-25,35-bis(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-thiazole-4-carboxamide
InChI key:ZVLJONLPGJUTCW-DVMLEBHQSA-N

分子式:C50H53N15O9S6
分子量:1200.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(nc2-c2csc(n2)-c2csc(n2)[C@@H](NC(=O)CNC(=O)c2csc(n2)[C@@H](NC(=O)c2nc1sc2C)C(C)C)C(C)C)-c1nc(cs1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O
SMILES:CNC(=O)C[C@@H]1NC(=O)c2csc(n2)-c2ccc(nc2-c2csc(n2)-c2csc(n2)[C@@H](NC(=O)CNC(=O)c2csc(n2)[C@@H](NC(=O)c2nc1sc2C)C(C)C)C(C)C)-c1nc(cs1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O

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