ethyl (3S)-3-[2-[(4-carbamimidoylphenyl)carbamoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl (3S)-3-[2-[(4-carbamimidoylphenyl)carbamoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl (3S)-3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: (3S)-3-[[2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[2-[(4-carbamimidoylphenyl)carbamoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (3S)-3-[[2-[(4-amidinophenyl)carbamoylamino]acetyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CN=CC=C1)NC(=O)CNC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H24N6O4/c1-2-30-18(28)10-16(14-4-3-9-23-11-14)26-17(27)12-24-20(29)25-15-7-5-13(6-8-15)19(21)22/h3-9,11,16H,2,10,12H2,1H3,(H3,21,22)(H,26,27)(H2,24,25,29)/t16-/m0/s1