methyl 5-[1-[2-[(4-carbamimidoylphenyl)carbamoylamino]ethanoylamino]ethyl]-2-phenylmethoxy-benzoate

Systemtic Name: methyl 5-[1-[2-[(4-carbamimidoylphenyl)carbamoylamino]ethanoylamino]ethyl]-2-phenylmethoxy-benzoate Openeye Name: methyl 2-benzyloxy-5-[1-[[2-[(4-carbamimidoylphenyl)carbamoylamino]acetyl]amino]ethyl]benzoate CAS Name: 5-[1-[[2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-1-oxoethyl]amino]ethyl]-2-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 5-[1-[[2-[(4-carbamimidoylphenyl)carbamoylamino]acetyl]amino]ethyl]-2-phenylmethoxybenzoate Traditional Name: 5-[1-[[2-[(4-amidinophenyl)carbamoylamino]acetyl]amino]ethyl]-2-benzoxy-benzoic acid methyl ester Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)OC)NC(=O)CNC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)OC)NC(=O)CNC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N5O5/c1-17(31-24(33)15-30-27(35)32-21-11-8-19(9-12-21)25(28)29)20-10-13-23(22(14-20)26(34)36-2)37-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H3,28,29)(H,31,33)(H2,30,32,35)