methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(1H-indol-5-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(1H-indol-5-ylcarbonylamino)butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(1H-indole-5-carbonylamino)butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[1H-indol-5-yl(oxo)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-(1H-indole-5-carbonylamino)butanoate Traditional Name: 2-(3-amidinobenzyl)-3-(1H-indole-5-carbonylamino)butyric acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C22H24N4O3/c1-13(26-21(27)17-6-7-19-15(12-17)8-9-25-19)18(22(28)29-2)11-14-4-3-5-16(10-14)20(23)24/h3-10,12-13,18,25H,11H2,1-2H3,(H3,23,24)(H,26,27)