7-Isopentyloxy-7-demethoxymitomycin A

[(7R,8S)-7-methoxy-12-methyl-11-(3-methylbutoxy)-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

Also Known As: AC1L1EXL|AC1Q41EL|7-Isopentyloxy-7-demethoxymitomycin A|9-(Hydroxymethyl)-7-isopentyloxy-9a-methoxy-6-methylmitosane carbamate|[(8S,8aR)-8a-Methoxy-5-methyl-6-(3-methylbutoxy)-4,7-dioxo-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-6-(3-methylbutoxy)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate|Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6-isopentyloxy-8a-methoxy-5-methyl-, carbamate

Molecular Formula	C20H27N3O6
Molecular Weight	405.18997 g/mol
LogP	0.45
Topological Polar Surface Area	130.1 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	405.18997
Heavy Atoms	29
Complexity	847.2

Chemical Identifiers

CAS Number	76079-87-3
SMILES	CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)OCCC(C)C