C58H76N16O18
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 1284.552350。
[(3s,6s,9s,15s,18s,21s,24s,27s,30s,35ar)-1,4,7,10,13,16,19,22,25,28-decahydroxy-9,18,21-tris(c-hydroxycarbonimidoylmethyl)-30-[(1s)-1-hydroxyethyl]-27-(hydroxymethyl)-3,24-bis(1h-indol-3-ylmethyl)-6-(2-methylpropyl)-31-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,30h,33h,34h,35h,35ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-15-yl]acetic acid 收自 LOTUS、COCONUT、NP Atlas。关联生物包括 Microcystis aeruginosa、Microcystis aeruginosa (NIES-88)。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)C[C@@H]1N=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@H]2CCCN2C(=O)[C@H]([C@H](C)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=O)O)N=C(O)CN=C(O)[C@H](CC(=N)O)N=C1O
InChIKey
AFDPMSAJJZIIQX-GARKVBDDSA-N
CAS：这里用的两张来源表里没有。
IUPAC
2-[(3S,6S,9S,15S,18S,21S,24S,27S,30S,35aR)-1,4,7,10,13,16,19,22,25,28-decahydroxy-9,18,21-tris[(C-hydroxycarbonimidoyl)methyl]-30-[(1S)-1-hydroxyethyl]-27-(hydroxymethyl)-3,24-bis[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-31-oxo-3H,6H,9H,12H,15H,18H,21H,24H,27H,30H,31H,33H,34H,35H,35aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-15-yl]acetic acid
计算描述符（不是实验测定）: XLogP -0.65 · tPSA 588 · HBD 21 · HBA 32 · 原始分类 Cyclic peptides