Yatakemycin

S-[5-hydroxy-6-[10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-7-oxo-10-azatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl] ethanethioate

Also Known As: Yatakemycin|Ethanethioic acid, S-[6-[[1,1a,2,3,5,6-hexahydro-3-[(6-hydroxy-5-methoxy-1H-indol-2-yl)carbonyl]-5-oxocyclopenta[e]cycloprop[c]indol-7-yl]carbonyl]-3,6,7,8-tetrahydro-5-hydroxy-4-methoxypyrrolo[3,2-e]indol-2-yl] ester|S-[5-hydroxy-6-[(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-oxo-[?]carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl] ethanethioate|S-{5-Hydroxy-6-[3-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-5-oxo-1,1a,2,3,5,6-hexahydrocyclopenta[e]cyclopropa[c]indole-7-carbonyl]-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl} ethanethioate

Molecular Formula	C36H30N4O8S
Molecular Weight	678.1784 g/mol
LogP	3.4
Topological Polar Surface Area	191.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	678.1784
Monoisotopic Mass	678.1784
Heavy Atoms	49
Complexity	1610.0

Chemical Identifiers

CAS Number	606136-98-5
SMILES	CC(=O)SC1=CC2=C3CCN(C3=C(C(=C2N1)OC)O)C(=O)C4=CC5=C(C4)C(=O)C=C6C57CC7CN6C(=O)C8=CC9=CC(=C(C=C9N8)O)OC
InChIKey	QSZHAMMVDIPHLJ-UHFFFAOYSA-N