methyl N-{8-[(5-{[(5-{4-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3-iodo-5,6-dimethoxy-2-methylbenzoylsulfanyl}-4-hydroxy-6-methyloxan-2-yl)oxy]amino}-3-{[5-(N-ethylacetamido)-4-methoxyoxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-1-hydroxy-13-{2-[(methylsulfanyl)disulfanyl]ethylidene}-11-oxobicyclo[7.3.1]tridec-4-en-2,6-diyn-10-ylidene}carbamate

CAS: 108212-76-6

Formula: C57H76IN3O22S4

SMILES: CCN(C1COC(CC1OC)OC1C(O)C(NOC2CC(O)C(SC(=O)C3=C(C)C(I)=C(OC4OC(C)C(O)C(OC)C4O)C(OC)=C3OC)C(C)O2)C(C)OC1OC1C#CC=CC#CC2(O)CC(=O)C(=NC(=O)OC)C1C2=CCSSSC)C(C)=O

IUPAC: methyl N-{8-[(5-{[(5-{4-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3-iodo-5,6-dimethoxy-2-methylbenzoylsulfanyl}-4-hydroxy-6-methyloxan-2-yl)oxy]amino}-3-{[5-(N-ethylacetamido)-4-methoxyoxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-1-hydroxy-13-{2-[(methylsulfanyl)disulfanyl]ethylidene}-11-oxobicyclo[7.3.1]tridec-4-en-2,6-diyn-10-ylidene}carbamate

InChI: InChI=1/C57H76IN3O22S4/c1-13-61(30(6)62)32-25-76-37(23-36(32)71-7)81-50-45(66)42(27(3)78-55(50)80-35-18-16-14-15-17-20-57(70)24-34(64)43(59-56(69)75-11)40(35)31(57)19-21-85-87-84-12)60-83-38-22-33(63)52(29(5)77-38)86-53(68)39-26(2)41(58)48(51(74-10)47(39)

Composition: C (48.54%), H (5.43%), I (9.00%), N (2.98%), O (24.96%), S (9.09%)

Molar Mass: 1410.38

Atom Count: 163

Heavy Atom Count: 87