Antibiotic M83

[(7R,8S)-11-(4-hydroxyanilino)-7-methoxy-12-methyl-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: Antibiotic M83|AC1L1ABG|7-N-(p-Hydroxyphenyl)-mitomycin C|N(6)-4-Hydroxyphenylmitomycin C|7-N-(4-Hydroxyphenyl)mitomycin C|HNTGDFCASLOZEZ-QHLODZMVSA-N|KW 2083|M-83|[(7R,8S)-11-(4-hydroxyanilino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate|[(8S,8aR)-6-(4-Hydroxyanilino)-8a-methoxy-5-methyl-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|[6-(4-Hydroxyanilino)-8a-methoxy-5-methyl-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-(p-hydroxyanilino)-8a-methoxy-5-methyl-, 8-carbamate (ester)|Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-6-((4-hydroxyphenyl)amino)-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-

Molecular Formula	C21H22N4O6
Molecular Weight	426.15393 g/mol
LogP	0.21
Topological Polar Surface Area	153.13 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	426.15393
Heavy Atoms	31
Complexity	1077.8

Chemical Identifiers

CAS Number	70343-57-6
SMILES	CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)NC5=CC=C(C=C5)O