ESPERAMICIN

Molecular Formula: C₅₉H₈₀N₄O₂₂S₄

InChI: InChI=1/C59H80N4O22S4/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(74-9)41(75-10)23-35(33)61-55(68)32(6)72-7/h14-15,19,22-23,28-31,36-39,42-45,47,49-50,52-54,57,60,63-66,71H,6,21,24-27H2,1-5,7-13H3,(H,61,68)(H,62,70)/b15-14-,34-19+/f/h61-62H

InChIKey: InChIKey=LJQQFQHBKUKHIS-ARDJQJSCDY
SMILES: CC1C(C(C(C(O1)OC2C#CC=CC#CC3(C(C(=O)C(=C2C3=CCSSSC)NC(=O)OC)OC4CC(C(C(O4)C)O)OC(=O)C5=CC(=C(C=C5NC(=O)C(=C)OC)OC)OC)O)OC6CC(C(CO6)NC(C)C)OC)O)NOC7CC(C(C(O7)C)SC)O

Names:
    Benzoic acid, 4,5-dimethoxy-2-((2-methoxy-1-oxo-2-propenyl)amino)-, 3'(12)-ester with methyl(8-((4,6-dideoxy-2-O-(2,4-dideoxy-3-O-methyl-4-((1-methylethyl)amino)-alpha-L-threo-pentopyranosyl)-4-(((2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranosyl)oxy)amino)-beta-D-glucopyranosyl)oxy)-12-((2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-hydroxy-13-(2-(methyltrithio)ethylidene)-11-oxobicyclo(7.3.1)trideca-4,9-diene-2,6-diyn-10-yl)carbamate, (1S-(1R*,4Z,8S*,12S*,13E))-
    BMY 28175
    Esperamicin A(sub 1)
    ESPERAMICIN
    Esperamicin A1
    ESPERAMICIN
    99674-26-7
    [3-hydroxy-6-[[(5Z,13E)-9-hydroxy-2-[4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyl-oxan-2-yl)oxyamino]-3-[4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-12-(methoxycarbonylamino)-13-(2-methylsulfanyldisulfanylethylidene)-11-oxo-10-bicyclo[7.3.1]trideca-5,12-dien-3,7-diynyl]oxy]-2-methyl-oxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate

Registries:
    PubChem CID 6435576
    PubChem ID 194582