174885-02-0

N-Ac-γ-Calicheamicin-AcBut-NHS ester

IUPAC Name: 2,5-dioxopyrrolidin-1-yl 4-(4-((E)-1-(2-(3-(((E)-2-((1R,8S,Z)-8-(((2R,3R,4S,5S,6R)-5-((((2S,4S,5S,6R)-5-((4-(((2S,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-iodo-5,6-dimethoxy-2-methylbenzoyl)thio)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)amino)-3-(((2S,4S,5S)-5-(N-ethylacetamido)-4-methoxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1-hydroxy-10-((methoxycarbonyl)amino)-11-oxobicyclo[7.3.1]trideca-4,9-dien-2,6-diyn-13-ylidene)ethyl)disulfanyl)-3-methylbutanoyl)hydrazono)ethyl)phenoxy)butanoate

InChIKey: FGVZNSWVGYYQPI-UZFIWLAZSA-N

SMILES: O[C@](CC1=O)(C#C/C=C\C#C2)/C(C([C@H]2O[C@@](O[C@H](C)[C@@H](NO[C@H](O[C@H](C)[C@H]3SC(C(C(C)=C(I)C(O[C@H](O[C@@H](C)[C@H](O)[C@H]4OC)[C@@H]4O)=C5OC)=C5OC)=O)C[C@@H]3O)[C@@H]6O)([H])[C@@H]6O[C@@](OC[C@@H]7N(CC)C(C)=O)([H])C[C@@H]7OC)=C1NC(OC)=O)=C/CSSC(C)(C)CC(N/N=C(C8=CC=C(OCCCC(ON(C9=O)C(CC9)=O)=O)C=C8)\C)=O