Cinodine II
N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-5-[[7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enamide
Also Known As: Cinodine II|(E)-N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-5-[[5-(carbamoylamino)-8-oxo-3,9-dioxa-7-azabicyclo[4.3.0]non-4-yl]oxy]-4-hydroxy-oxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyl-oxan-2-yl]oxyphenyl]prop-2-enamide
| Molecular Formula | C37H59N13O13 |
|---|---|
| Molecular Weight | 893.43555 g/mol |
| LogP | -4.6616 |
| Topological Polar Surface Area | 407.86 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 19 |
| Exact Mass | 893.43555 |
| Monoisotopic Mass | 893.43555 |
| Heavy Atoms | 63 |
| Complexity | 1774.3027 |
Chemical Identifiers
| CAS Number | 60830-75-3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)NCCCNCCCCN)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4C(C5C(CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N |
Product Overview
Cinodine II (CAS 60830-75-3), with molecular formula C37H59N13O13 and molecular weight 893.43555 g/mol. IUPAC: N-[3-(4-aminobutylamino)propyl]-3-[4-[5-[[3-(carbamoylamino)-5-[[7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enamide.