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

Systemtic Name: methyl 3-(3H-benzimidazol-5-ylcarbonylamino)-2-[(3-carbamimidoylphenyl)methyl]butanoate Openeye Name: methyl 3-(3H-benzimidazole-5-carbonylamino)-2-[(3-carbamimidoylphenyl)methyl]butanoate CAS Name: 3-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-2-[(3-carbamimidoylphenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl 3-(3H-benzimidazole-5-carbonylamino)-2-[(3-carbamimidoylphenyl)methyl]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-(3H-benzimidazole-5-carbonylamino)butyric acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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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)N=CN3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C21H23N5O3/c1-12(26-20(27)15-6-7-17-18(10-15)25-11-24-17)16(21(28)29-2)9-13-4-3-5-14(8-13)19(22)23/h3-8,10-12,16H,9H2,1-2H3,(H3,22,23)(H,24,25)(H,26,27)