ximelagatran

CAS: 192939-46-1

Formula: C24H35N5O5

SMILES: CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(N)=NO

IUPAC: ethyl 2-{[(1R)-1-cyclohexyl-2-[(2S)-2-[({4-[(Z)-N'-hydroxycarbamimidoyl]phenyl}methyl)carbamoyl]azetidin-1-yl]-2-oxoethyl]amino}acetate

InChI: InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21-/m1/s1

Composition: C (60.87%), H (7.45%), N (14.79%), O (16.89%)

Molar Mass: 473.574

Atom Count: 69

Heavy Atom Count: 34