Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-((octadecylamino)methyl)-

HCID 16133993

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基本情報

CAS: 562105-43-5
標準SMILES: CCCCCCCCCCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)[C@H]1NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)[C@@H](O)[C@H](NC1=O)C(=O)N[C@@H]2C(=O)NC)NC(=O)[C@H](N)c1ccc(O)c(c1)Oc1cc(O)cc4c1
InChIKey: MLVMRJACQNGIAW-AWFUMUQRSA-N
分子式: C78H87Cl2N9O17
平均分子量: 1,493.506 g/mol
単同位体質量: 1,491.55969768

優先名称: Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-((octadecylamino)methyl)-
IUPAC: (1S,2R,19R,22R,34S,37R,40R,52S)-22-Amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-N-methyl-48-[(octadecylamino)methyl]-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxamide

読み込み中…

CAS: 562105-43-5
標準SMILES: CCCCCCCCCCCCCCCCCCNCc1c(O)cc2c(c1O)-c1cc(ccc1O)[C@H]1NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)[C@@H](O)[C@H](NC1=O)C(=O)N[C@@H]2C(=O)NC)NC(=O)[C@H](N)c1ccc(O)c(c1)Oc1cc(O)cc4c1
InChIKey: MLVMRJACQNGIAW-AWFUMUQRSA-N
分子式: C78H87Cl2N9O17
平均分子量: 1,493.506 g/mol
単同位体質量: 1,491.55969768

優先名称: Ristomycin A aglycone, 22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-((methylamino)carbonyl)-41-((octadecylamino)methyl)-
IUPAC: (1S,2R,19R,22R,34S,37R,40R,52S)-22-Amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-N-methyl-48-[(octadecylamino)methyl]-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxamide

読み込み中…