C51H82N8O12
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 998.605220。
28-ethyl-3,9,18,26-tetrahydroxy-14-isopropyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-2-(sec-butyl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone 收自 LOTUS。关联生物包括 Lyngbya majuscula、Schizothrix calcicola。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
CCC(C)C1OC(=O)C(C)C(CC)N=C(O)C(C)N(C)C(=O)C(C)(C)C(=O)C(C)N=C(O)C(Cc2ccc(OC)cc2)N(C)C(=O)C(C(C)C)N(C)C(=O)CN=C(O)C(CC(C)C)N(C)C(=O)CN=C1O
InChIKey
MKKWMLGEOYGWEO-UHFFFAOYSA-N
CAS
IUPAC
2-(butan-2-yl)-28-ethyl-3,9,18,26-tetrahydroxy-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octaazacyclotriaconta-3,9,18,26-tetraene-6,12,15,21,23,30-hexone
计算描述符（不是实验测定）: XLogP 3.94 · tPSA 264 · HBD 4 · HBA 19 · 原始分类 Cyclic peptides