Name: Chloropeptin I
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600543
Cas No:160219-64-7
常用名:Chloropeptin I
IUPAC:(2R)-2-{[(18R,21R,24R,27R,30S)-21,27-bis(3,5-dichloro-4-hydroxyphenyl)-18-[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetamido]-37-hydroxy-29-methyl-19,22,25,28-tetraoxo-2-oxa-14,20,23,26,29-pentaazahexacyclo[30.2.2.1^{3,7}.0^{5,24}.0^{8,13}.0^{12,16}]heptatriaconta-1(34),3,5,7(37),8(13),9,11,15,32,35-decaen-30-yl]formamido}-2-(4-hydroxyphenyl)acetic acid
IUPAC:(2R)-2-{[(18R,21R,24R,27R,30S)-21,27-bis(3,5-dichloro-4-hydroxyphenyl)-18-[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetamido]-37-hydroxy-29-methyl-19,22,25,28-tetraoxo-2-oxa-14,20,23,26,29-pentaazahexacyclo[30.2.2.1^{3,7}.0^{5,24}.0^{8,13}.0^{12,16}]heptatriaconta-1(34),3,5,7(37),8(13),9,11,15,32,35-decaen-30-yl]formamido}-2-(4-hydroxyphenyl)acetic acid
InChI key:FRRCHJPQSWYJSH-OZICGBTHSA-N

分子式:C61H45Cl6N7O15
分子量:1328.77
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](Cc3c[nH]c4c(cccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@@H](C(O)=O)c2ccc(O)cc2)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
SMILES:[H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](Cc3c[nH]c4c(cccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@@H](C(O)=O)c2ccc(O)cc2)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1

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