(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(cyclopropylamino)butanoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(cyclopropylamino)butanoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(cyclopropylamino)butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(cyclopropylamino)butanoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(cyclopropylamino)butanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-(cyclopropylamino)butyric acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C25H35N5O3 MolecularWeight: 453.5771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)OC(C)C(=O)N3CCCC3)NC4CC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)OC(C)C(=O)N3CCCC3)NC4CC4

InChI

InChI=1S/C25H35N5O3/c1-3-30-20(14-17-6-7-18(23(26)27)15-22(17)30)10-11-21(28-19-8-9-19)25(32)33-16(2)24(31)29-12-4-5-13-29/h6-7,14-16,19,21,28H,3-5,8-13H2,1-2H3,(H3,26,27)