AC1L7Q6T

[4,5-diacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-3-yl] acetate

Also Known As: [4,5-diacetyloxy-6-[[C-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]sulfanyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbonimidoyl]amino]oxan-3-yl] acetate|2,3,4-Tri-O-acetyl-N-[(Z)-({1,2-bis[(benzyloxy)carbonyl]hydrazin-1-yl}sulfanyl){[1,2,3-trimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]imino}methyl]pentopyranosylamine

Molecular Formula	C48H52N4O15S2
Molecular Weight	988.28705 g/mol
LogP	6.0
Topological Polar Surface Area	276.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	18
Rotatable Bonds	21
Exact Mass	988.28705
Monoisotopic Mass	988.28705
Heavy Atoms	69
Complexity	1950.0

Chemical Identifiers

CAS Number	57742-00-4
SMILES	CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC(=NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)SN(C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6
InChIKey	IQLRGRUSAKYYQG-UHFFFAOYSA-N