(3S,6R,7R,22R,23S,26S,37R,39aR)-3-(2-amino-2-oxoethyl)-45-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-7,22,28,30,32-pentahydroxy-6-((R)-4-methyl-2-(methyl(nitroso)amino)pentanamido)-2,5,24,39,40-pentaoxo-1,2,3,4,5,6,7,23,24,25,26,36,37,38,39,39a-hexadecahydro-22H-23,37-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[o][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,18]diazacyclopentacosine-26-carboxylic acid

化合物标识与属性

PubChem CID

177834066

SMILES

C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7CC8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)N(C)N=O)O)Cl)CO)O)O)(C)N)O

Canonical SMILES

CC(C)C[C@H](C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@@H]3Cc4ccc(O)c(c4)-c4c(O)cc(O)cc4[C@@H](C(=O)O)NC(=O)[C@@H](NC3=O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O)N(C)N=O