C57H97ClN12O15
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 1224.688488。
3-[(3r,4r,7s,10e,13s,16s,19s,25s,28s,33as)-3-[(2s)-12-chlorotetradecan-2-yl]-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-(c-hydroxycarbonimidoylmethyl)-13-[(1s)-1-hydroxyethyl]-7,16-diisopropyl-25-(1-methoxyethyl)-27-methyl-26,29-dioxo-3h,4h,7h,13h,16h,19h,22h,25h,28h,31h,32h,33h,33ah-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl]propanimidic acid 收自 LOTUS、NP Atlas。关联生物包括 Anabaena、Anabaena sp. BQ-16-1。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
C/C=C1/N=C(O)[C@H](C(C)C)N=C(O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCC(Cl)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(=N)O)N(C)C(=O)[C@H](C(C)OC)N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](C(C)C)N=C(O)[C@H]([C@H](C)O)N=C1O
InChIKey
QEQPUTKQRURHAG-KTUZZVSUSA-N
CAS：这里用的两张来源表里没有。
IUPAC
3-[(3R,4R,7S,10E,13S,16S,19S,25S,28S,33aS)-3-[(2S)-12-chlorotetradecan-2-yl]-10-ethylidene-1,4,5,8,11,14,17,20,23-nonahydroxy-28-[(C-hydroxycarbonimidoyl)methyl]-13-[(1S)-1-hydroxyethyl]-25-(1-methoxyethyl)-27-methyl-26,29-dioxo-7,16-bis(propan-2-yl)-3H,4H,7H,10H,13H,16H,19H,22H,25H,26H,27H,28H,29H,31H,32H,33H,33aH-pyrrolo[2,1-c]1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-19-yl]propanimidic acid
计算描述符（不是实验测定）: XLogP 5.28 · tPSA 439 · HBD 14 · HBA 27 · 原始分类 Cyclic peptides