ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl-pyrrolidin-1-ylcarbonyl-amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl-pyrrolidin-1-ylcarbonyl-amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(pyrrolidine-1-carbonyl)amino]-3-oxo-propanoate CAS Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]methyl-[oxo(1-pyrrolidinyl)methyl]amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]methyl-(pyrrolidine-1-carbonyl)amino]-3-oxopropanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(pyrrolidine-1-carbonyl)amino]-3-keto-propionic acid ethyl ester Formula: C27H33N7O4 MolecularWeight: 519.59542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(CC1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CC(=O)N(CC1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

InChI

InChI=1S/C27H33N7O4/c1-3-38-25(36)15-24(35)34(27(37)33-12-4-5-13-33)17-18-6-11-22-21(14-18)31-23(32(22)2)16-30-20-9-7-19(8-10-20)26(28)29/h6-11,14,30H,3-5,12-13,15-17H2,1-2H3,(H3,28,29)