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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(cyclopropylamino)butanoate Openeye Name: (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 [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 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-2-pyrrolidino-ethyl) ester Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3/c1-2-29-19(13-16-5-6-17(23(25)26)14-21(16)29)9-10-20(27-18-7-8-18)24(31)32-15-22(30)28-11-3-4-12-28/h5-6,13-14,18,20,27H,2-4,7-12,15H2,1H3,(H3,25,26)