Saframycin A

N-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide

Also Known As: Saframycin A|(-)-saframycin A|21-cyanosaframycin B|21-Cyanosaframycin-B|ONO-6126|N-[[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]-2-oxopropanamide|N-(((1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo(11.7.1.02,11.04,9.015,20)henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl)-2-oxopropanamide|N-(((6S,7R,9R,14aS,15R)-7-Cyano-1,5,6,7,9,10,13,14,14a,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6,15-imino-4H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-2-oxopropanamide|N-[[(6S)-7alpha-Cyano-1,5,6,7,9,10,13,14,14aalpha,15-decahydro-2,11-dimethoxy-3,12,16-trimethyl-1,4,10,13-tetraoxo-6alpha,15alpha-epimino-4H-isoquino[3,2-b][3]benzazocin-9beta-yl]methyl]-2-oxopropionamide|N-{[(1R,2S,10R,12R,13S)-12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide

Molecular Formula	C29H30N4O8
Molecular Weight	562.20636 g/mol
LogP	-0.15
Topological Polar Surface Area	163.18 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	562.20636
Heavy Atoms	41
Complexity	1522.6

Chemical Identifiers

CAS Number	66082-27-7
SMILES	CC1=C(C(=O)C2=C(C1=O)C[C@H]3[C@H]4C5=C(C[C@H](N4C)[C@@H](N3[C@H]2CNC(=O)C(=O)C)C#N)C(=O)C(=C(C5=O)OC)C)OC