C71H116N16O17
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 1464.870436。
1-[18-benzyl-3-(3-carbamimidamidopropyl)-21-ethylidene-1,4,7,10,13,16,19,22,25,28,31,34-dodecahydroxy-9,30-bis(1-hydroxyethyl)-24,33,36-triisopropyl-6-(2-methylpropyl)-37-oxo-12,15-bis(sec-butyl)-3h,6h,9h,12h,15h,18h,24h,27h,30h,33h,36h,39h,40h,41h,41ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaazacyclononatriacontan-27-yl]ethyl acetate 收自 LOTUS。关联生物包括 Tolypothrix byssoidea。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=C1N=C(O)C(Cc2ccccc2)N=C(O)C(C(C)CC)N=C(O)C(C(C)CC)N=C(O)C(C(C)O)N=C(O)C(CC(C)C)N=C(O)C(CCCNC(=N)N)N=C(O)C2CCCN2C(=O)C(C(C)C)N=C(O)C(C(C)C)N=C(O)C(C(C)O)N=C(O)C(C(C)OC(C)=O)N=C(O)C(C(C)C)N=C1O
InChIKey
ZWXCBGUTACBDRV-UHFFFAOYSA-N
CAS：这里用的两张来源表里没有。
IUPAC
1-[18-benzyl-12,15-bis(butan-2-yl)-3-(3-carbamimidamidopropyl)-21-ethylidene-1,4,7,10,13,16,19,22,25,28,31,34-dodecahydroxy-9,30-bis(1-hydroxyethyl)-6-(2-methylpropyl)-37-oxo-24,33,36-tris(propan-2-yl)-3H,6H,9H,12H,15H,18H,21H,24H,27H,30H,33H,36H,37H,39H,40H,41H,41aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaazacyclononatriacontan-27-yl]ethyl acetate
计算描述符（不是实验测定）: XLogP 5.84 · tPSA 540 · HBD 17 · HBA 33 · 原始分类 Cyclic peptides