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

Systemtic Name: ethyl 3-[3-[(4-carbamimidoylphenyl)methylamino]propanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[3-[(4-carbamimidoylphenyl)methylamino]propanoylamino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-[(4-carbamimidoylphenyl)methylamino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(4-carbamimidoylphenyl)methylamino]propanoylamino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[3-[(4-amidinobenzyl)amino]propanoylamino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CCNCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CCNCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H27N5O3/c1-2-29-20(28)12-18(17-4-3-10-24-14-17)26-19(27)9-11-25-13-15-5-7-16(8-6-15)21(22)23/h3-8,10,14,18,25H,2,9,11-13H2,1H3,(H3,22,23)(H,26,27)