Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-

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기본 정보

CAS: 562105-40-2
표준 SMILES: N[C@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CNC2C4CC5CC(C4)CC2C5)c1O)[C@@H](C(=O)O)NC3=O
InChIKey: RCIWFJICDRFFIW-OMGQGOBZSA-N
분자식: C69H62Cl2N8O18
평균 분자량: 1,362.199 g/mol
단동위원소 질량: 1,360.3559125

우선 이름: Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-
IUPAC: (1S,2R,19R,22R,34S,37R,40R,52S)-48-{[(Adamantan-2-yl)amino]methyl}-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-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-carboxylic acid

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CAS: 562105-40-2
표준 SMILES: N[C@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(cc(O)c(CNC2C4CC5CC(C4)CC2C5)c1O)[C@@H](C(=O)O)NC3=O
InChIKey: RCIWFJICDRFFIW-OMGQGOBZSA-N
분자식: C69H62Cl2N8O18
평균 분자량: 1,362.199 g/mol
단동위원소 질량: 1,360.3559125

우선 이름: Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-41-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)-
IUPAC: (1S,2R,19R,22R,34S,37R,40R,52S)-48-{[(Adamantan-2-yl)amino]methyl}-22-amino-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-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-carboxylic acid

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