ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[[1-[(4-carbamimidoylanilino)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(4-carbamimidoylphenyl)carbamoyl]pyrrolidine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[1-[(4-amidinophenyl)carbamoyl]prolyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)C2CCCN2C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H28N6O4/c1-2-33-20(30)13-18(16-5-3-11-26-14-16)28-22(31)19-6-4-12-29(19)23(32)27-17-9-7-15(8-10-17)21(24)25/h3,5,7-11,14,18-19H,2,4,6,12-13H2,1H3,(H3,24,25)(H,27,32)(H,28,31)