ethyl 3-[[3-[(4-carbamimidoylphenyl)methylamino]phenyl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methylamino]phenyl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methylamino]benzoyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[[3-[(4-carbamimidoylphenyl)methylamino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methylamino]benzoyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[3-[(4-amidinobenzyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2=CC(=CC=C2)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2=CC(=CC=C2)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H27N5O3/c1-2-33-23(31)14-22(20-6-4-12-28-16-20)30-25(32)19-5-3-7-21(13-19)29-15-17-8-10-18(11-9-17)24(26)27/h3-13,16,22,29H,2,14-15H2,1H3,(H3,26,27)(H,30,32)