C46H70N8O12
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 926.511320。
(4s)-5-[(1s,4s,7s,10s,11s,14s,17s,20s,22r)-14,20-bis[(2s)-butan-2-yl]-3,6,16,22-tetrahydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-13,19,25-trioxo-12-oxa-2,5,8,15,18,21-hexaazatricyclo[19.3.1.0⁷,¹¹]pentacosa-2,5,15-trien-8-yl]-4-[(1-hydroxyethylidene)amino]-5-oxopentanimidic acid 收自 LOTUS。关联生物包括 Nostoc minutum。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
CC[C@H](C)[C@@H]1N=C(O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2[C@@H](OC1=O)[C@@H](C)CN2C(=O)[C@H](CCC(=N)O)N=C(C)O
InChIKey
QMXYZAMGCKYKHQ-PYYLCICISA-N
CAS
IUPAC
(4S)-5-[(1S,4S,7S,10S,11S,14S,17S,20S,22R)-14,20-bis[(2S)-butan-2-yl]-3,6,16,22-tetrahydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-13,19,25-trioxo-12-oxa-2,5,8,15,18,21-hexaazatricyclo[19.3.1.0⁷,¹¹]pentacosa-2,5,15-trien-8-yl]-4-[(1-hydroxyethylidene)amino]-5-oxopentanimidic acid
计算描述符（不是实验测定）: XLogP 3.47 · tPSA 302 · HBD 8 · HBA 19 · 原始分类 Cyclic peptides