Saframycin Ad 1
AlkaPlorer ID: AK043104
Synonym: ''
IUPAC Name: N-[[(1S,2S,10S,12S,13R)-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-oxobutanamide
Structure
SMILES: CCC(=O)C(=O)NC[C@@H]1C2=C(C[C@H]3[C@@H]4C5=C(C[C@H]([C@@H](C#N)N13)N4C)C(=O)C(C)=C(OC)C5=O)C(=O)C(C)=C(OC)C2=O
InChI: InChI=1S/C30H32N4O8/c1-7-20(35)30(40)32-11-19-21-14(24(36)12(2)28(41-5)26(21)38)9-17-23-22-15(25(37)13(3)29(42-6)27(22)39)8-16(33(23)4)18(10-31)34(17)19/h16-19,23H,7-9,11H2,1-6H3,(H,32,40)/t16-,17+,18-,19-,23-/m1/s1
InChIKey: GGGQHIDQYVATGY-MXBGAEMTSA-N
Source
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Properties Information
Molecule Weight: 576.6060000000003
TPSA？: 163.17999999999998
MolLogP？: 0.2406800000000022
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
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