7-Pentyloxy-7-demethoxymitomycin A

[(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-pentoxy-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Also Known As: 7-Pentyloxy-7-demethoxymitomycin A|AC1L2737|9-(Hydroxymethyl)-9a-methoxy-6-methyl-7-pentyloxymitosane carbamate|Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-pentyloxy-, carbamate|[(8S,8aR)-8a-Methoxy-5-methyl-4,7-dioxo-6-(pentyloxy)-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate|[8a-Methoxy-5-methyl-4,7-dioxo-6-(pentyloxy)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate

Molecular Formula	C20H27N3O6
Molecular Weight	405.18997 g/mol
LogP	0.6
Topological Polar Surface Area	130.1 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	405.18997
Heavy Atoms	29
Complexity	834.1

Chemical Identifiers

CAS Number	56981-77-2
SMILES	CCCCCOC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2CC4C3N4)OC)COC(=O)N)C