C58H93N11O15
质量核对：来源记录的单同位素质量与分子式一致（≤ 10 ppm）。 由分子式计算 1183.685261。
(3s,6s,10r,16s,22s,25s,28r,31r,34s,37s)-22,25-bis[(2s)-butan-2-yl]-10-heptyl-5,8,12,15,24,27,30,33,36-nonahydroxy-3,6,34-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-28-(2-methylpropyl)-1,4,7,11,14,20,23,26,29,32,35-undecaazatricyclo[35.3.0.0¹⁶,²⁰]tetraconta-4,7,11,14,23,26,29,32,35-nonaene-2,21-dione 收自 LOTUS、COCONUT、NP Atlas。关联生物包括 Anabaena、Trichormus、Trichormus sp. UIC 10339。来源库给出的结构类是「Cyclic peptides」。
学名照录来源库原文，不是重新做的分类鉴定。
SMILES
CCCCCCC[C@@H]1CC(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CO)C(O)=N[C@H](Cc2ccc(O)cc2)C(O)=N[C@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)CC)C(O)=N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(O)=NCC(O)=N1
InChIKey
YNLIJTVZSFUHKP-LWISRNBCSA-N
IUPAC
(3S,6S,10R,16S,22S,25S,28R,31R,34S,37S)-22,25-bis[(2S)-butan-2-yl]-10-heptyl-5,8,12,15,24,27,30,33,36-nonahydroxy-3,6,34-tris(hydroxymethyl)-31-[(4-hydroxyphenyl)methyl]-28-(2-methylpropyl)-1,4,7,11,14,20,23,26,29,32,35-undecaazatricyclo[35.3.0.0¹⁶,²⁰]tetraconta-4,7,11,14,23,26,29,32,35-nonaene-2,21-dione
计算描述符（不是实验测定）: XLogP 4.53 · tPSA 415 · HBD 13 · HBA 25 · 原始分类 Cyclic peptides